| name | substance_id | casrn | assay_id | Molecular Weight | Water solubility | Log Water Solubility | Esitmated Log Water Solubility | Error | MP | REFERENCE |
|---|
| MEPERIDINE | 24703 | 50-13-5 | 1 | 283.8 | 6550 | -1.6367710911297 | -2.5102000000000002 | -0.8734289088703 | 25.0 | ROY,SD ; FLYNN,GL (1988) | | HYDROXYPHENAMATE | 24704 | 50-19-1 | 1 | 209.25 | 25000 | -0.92272545799326 | -1.0753999999999999 | -0.15267454200673999 | 25.0 | MERCK INDEX (1996) | | LACTIC ACID | 24705 | 50-21-5 | 1 | 90.078999999999994 | 1000000 | 1.0453764437282 | 1.0454000000000001 | 2.35562718000626e-05 | | MERCK INDEX (2001) | | ESTRADIOL | 24706 | 50-28-2 | 1 | 272.39 | 3.6 | -4.8788886589178997 | -3.7355999999999998 | 1.1432886589179001 | 27.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | 2,6-DICHLOROBENZOIC ACID | 24707 | 50-30-6 | 1 | 191.01 | 14130 | -1.1309139427349 | -2.6408 | -1.5098860572651001 | | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | 2,3,6-TRICHLOROBENZOIC ACID | 24708 | 50-31-7 | 1 | 225.46 | 7700 | -1.4665787774929999 | -3.3327 | -1.8661212225070001 | 22.0 | MARTIN,H ; WORTHING,CR (1977) | | THALIDOMIDE | 24709 | 50-35-1 | 1 | 258.24 | 544.79999999999995 | -2.6757864141372001 | -1.3388 | 1.3369864141372001 | 25.0 | BUDAVARI,S ET AL. (1996) | | 6-PURINETHIOL HYDRATE | 24710 | 50-44-2 | 1 | 152.18 | 68480 | -0.34679382809543602 | 0.21609999999999999 | 0.56289382809543598 | | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | DESIPRAMINE | 24711 | 50-47-5 | 1 | 266.39 | 58.6 | -3.6576203018287998 | -4.3570000000000002 | -0.69937969817120005 | 24.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | AMITRYPTYLINE | 24712 | 50-48-6 | 1 | 277.41000000000003 | 9.7100000000000009 | -4.4559028824403999 | -5.1653000000000002 | -0.7093971175596 | 24.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | RESERPINE | 24713 | 50-55-5 | 1 | 608.69000000000005 | 73.040000000000006 | -3.9208354023812002 | -7.2089999999999996 | -3.2881645976187999 | 30.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | NICLOSAMIDE | 24714 | 50-65-7 | 1 | 327.13 | 1.6 | -5.3106003909922004 | -4.0347 | 1.2759003909922 | 20.0 | TOMLIN,C (1997) | | 5-HYDROXYTRYPTAMINE | 24715 | 50-67-9 | 1 | 176.22 | 20000 | -0.94502520124246303 | -0.1782 | 0.76682520124246301 | 27.0 | HORN,AS (1981) | | SORBITOL | 24716 | 50-70-4 | 1 | 182.17 | 2750000 | 1.1788558355028 | 0.73950000000000005 | -0.4393558355028 | 30.0 | MULLIN,JW (1972) | | 2,5-DICHLOROBENZOIC ACID | 24717 | 50-79-3 | 1 | 191.01 | 800 | -2.3779661175915998 | -2.6408 | -0.2628338824084 | 14.0 | BEILSTEIN | | ASCORBIC ACID | 24718 | 50-81-7 | 1 | 176.13 | 400000 | 0.35622665623063599 | 0.75419999999999998 | 0.397973343769364 | 40.0 | MERCK INDEX (1996) | | 2,4,5-TRICHLOROBENZOIC ACID | 24719 | 50-82-8 | 1 | 225.46 | 810 | -2.4445844837867998 | -3.3327 | -0.88811551621319995 | 25.0 | SHIU,WY ET AL. (1990) | | 2,4-DICHLOROBENZOIC ACID | 24720 | 50-84-0 | 1 | 191.01 | 479.5 | -2.6002674930767999 | -2.6408 | -0.0405325069232001 | | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | 4-METHYLSALICYLIC ACID | 24721 | 50-85-1 | 1 | 152.15 | 10100 | -1.1779505829115 | -2.1052 | -0.92724941708849995 | 100.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | GLUCOSE | 24722 | 50-99-7 | 1 | 180.16 | 1200000 | 0.82352287287637305 | 0.74429999999999996 | -0.0792228728763731 | 30.0 | MULLIN,JW (1972) | | PIPERONYL BUTOXIDE | 24723 | 51-03-6 | 1 | 338.45 | 14.3 | -4.3741584809681999 | -5.4516999999999998 | -1.0775415190318001 | 25.0 | TOMLIN,C (1997) | | BENZIMIDAZOLE | 24724 | 51-17-2 | 1 | 118.14 | 2006 | -1.7700660378374 | -1.4570000000000001 | 0.3130660378374 | 20.0 | PEARLMAN,RS ET AL. (1984) | | 5-BROMOURACIL | 24725 | 51-20-7 | 1 | 190.98 | 815 | -2.3698302802647002 | -1.2010000000000001 | 1.1688302802646999 | | GUNTHER,FA ET AL. (1968) | | SCOPOLAMINE | 24726 | 51-34-3 | 1 | 303.36 | 100000 | -0.48195831565797198 | -0.8639 | -0.38194168434202802 | | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | ADRENALINE TARTRATE (1:1) | 24727 | 51-42-3 | 1 | 333.3 | 333330 | 3.90886532735477e-05 | 0.73709999999999998 | 0.73706091134672602 | | HORN,AS (1981) | | EPINEPHRINE | 24728 | 51-43-4 | 1 | 183.21 | 180 | -3.0076766696121999 | 0.73709999999999998 | 3.7447766696121998 | 20.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | Propylthiouracil | 24729 | 51-52-5 | 1 | 170.23 | 1204 | -2.1504096122248 | -2.0849000000000002 | 0.0655096122247998 | 25.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | P-METHOXYACETANILIDE | 24730 | 51-66-1 | 1 | 165.19 | 15050 | -1.0404472532466 | -1.5864 | -0.5459527467534 | 25.0 | SUZUKI,T (1991) | | 4-(2-AMINOETHYL)PHENOL | 24731 | 51-67-2 | 1 | 137.18 | 10400 | -1.1202574592237 | 0.37519999999999998 | 1.4954574592237 | 15.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | Mechlorethamine | 24732 | 51-75-2 | 1 | 156.06 | 12000 | -1.1141103565318999 | -0.83020000000000005 | 0.2839103565319 | 25.0 | BEILSTEIN | | Norethindrone acetate | 24733 | 51-98-9 | 1 | 340.47 | 5.3449999999999998 | -4.8041311411873 | -5.3506999999999998 | -0.54656885881270001 | 25.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | SPIRONOLACTONE | 24734 | 52-01-7 | 1 | 416.58 | 22 | -4.2772757348179997 | -5.4253 | -1.1480242651820001 | 25.0 | YALKOWSKY,SH ; HE,Y (2003) | | THIOTEPA | 24735 | 52-24-4 | 1 | 189.22 | 190000 | 0.00178656280573717 | -0.97889999999999999 | -0.98068656280573696 | 25.0 | MERCK INDEX (1996) | | ALDOSTERONE | 24736 | 52-39-1 | 1 | 360.45 | 51.18 | -3.8477447483084002 | -3.6307999999999998 | 0.21694474830839999 | 37.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | 1,3-Propanediol, 2-bromo-2-nitro- | 24737 | 52-51-7 | 1 | 199.99 | 250000 | 0.0969317282750378 | 0.69899999999999995 | 0.60206827172496202 | 22.0 | YALKOWSKY,SH ; HE,Y (2003) | | TRICHLORFON | 24738 | 52-68-6 | 1 | 257.44 | 120000 | -0.33149478070732902 | 0.58930000000000005 | 0.92079478070732901 | 25.0 | WAUCHOPE,RD ET AL. (1991A) | | CYSTEINE | 24739 | 52-90-4 | 1 | 121.16 | 277400 | 0.35974719207644801 | 0.0951 | -0.26464719207644799 | 25.0 | BEILSTEIN | | ESTRONE | 24740 | 53-16-7 | 1 | 270.37 | 30 | -3.9548372463175001 | -4.133 | -0.17816275368250001 | 25.0 | MERCK INDEX (1996) | | O,P'-DDD | 24741 | 53-19-0 | 1 | 320.05 | 0.1 | -6.5052178315317999 | -7.2046000000000001 | -0.69938216846820001 | 25.0 | BIGGAR,JW ; RIGGS,RI (1974) | | ANDROSTERONE | 24742 | 53-41-8 | 1 | 290.45 | 12 | -4.3838901347646004 | -2.9432 | 1.4406901347646 | 23.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | PRASTERONE | 24743 | 53-43-0 | 1 | 288.43 | 63.45 | -3.6576088035308998 | -2.8130000000000002 | 0.84460880353089995 | 25.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | INDOMETHACIN | 24744 | 53-86-1 | 1 | 357.8 | 0.93740000000000001 | -5.5817153870471996 | -5.6436000000000002 | -0.0618846129528006 | 25.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | NICOTINE | 24745 | 54-11-5 | 1 | 162.24 | 1000000 | 0.78984206234675802 | 0.41339999999999999 | -0.37644206234675798 | | SEIDELL,A (1941) | | SODIUM SALICYLATE | 24746 | 54-21-7 | 1 | 160.11000000000001 | 125000 | -0.10750844451519399 | -1.2325999999999999 | -1.1250915554848 | 25.0 | CRC HANDBOOK CHEM (1990) | | URIDINE, 2'-DEOXY-5-IODO- | 24747 | 54-42-2 | 1 | 354.1 | 2000 | -2.2480959310941002 | -0.0064 | 2.2416959310941 | 25.0 | MERCK INDEX (1996) | | CHLORHEXIDINE | 24748 | 55-56-1 | 1 | 505.46 | 800 | -2.8005968060376998 | -2.7050999999999998 | 0.0954968060376999 | 20.0 | MERCK INDEX (1996) | | 4-DIMETHYLAMINO-3'-METHYLAZOBENZENE | 24749 | 55-80-1 | 1 | 239.32 | 0.4 | -5.7769190028419999 | -4.5514999999999999 | 1.225419002842 | 25.0 | TAKAGISHI,T ET AL. (1969) | | ISOFLUROPHATE | 24750 | 55-91-4 | 1 | 184.15 | 15400 | -1.0776510023545001 | 0.2586 | 1.3362510023545 | 25.0 | MERCK INDEX (1996) | | METACIL | 24751 | 56-04-2 | 1 | 142.18 | 533.20000000000005 | -2.4259483691504 | -1.6942999999999999 | 0.73164836915039999 | 25.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | 4-AMINOBUTYRIC ACID | 24752 | 56-12-2 | 1 | 103.12 | 1300000 | 1.1006004479614999 | 0.98660000000000003 | -0.1140004479615 | 25.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | Cantharidin | 24753 | 56-25-7 | 1 | 196.2 | 30 | -3.8155777483243001 | -0.84060000000000001 | 2.9749777483242998 | 20.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | Tributyl tin acetate | 24754 | 56-36-0 | 1 | 349.08 | 65 | -3.7300116106518 | -5.2933000000000003 | -1.5632883893481999 | | BLUNDEN,SJ ET AL. (1984) | | QUINIDINE | 24755 | 56-54-2 | 1 | 324.43 | 140 | -3.3649929708721 | -2.1217000000000001 | 1.2432929708720999 | 25.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | Adenosine Triphosphate | 24756 | 56-65-5 | 1 | 507.19 | 1000000 | 0.29482931779910099 | 0.29480000000000001 | -2.93177991009808e-05 | | MERCK INDEX (1996); freely soluble | | TRYPTOPHAN, 5-HYDROXY- | 24757 | 56-69-9 | 1 | 220.23 | 10000 | -1.3428764787911001 | -0.8367 | 0.50617647879109995 | 5.0 | MERCK INDEX (1996) | | COUMAPHOS | 24758 | 56-72-4 | 1 | 362.77 | 1.5 | -5.3835401059554 | -5.6142000000000003 | -0.23065989404459999 | 20.0 | MELNIKOV,NN (1971) | | GLYCEROL | 24759 | 56-81-5 | 1 | 92.094999999999999 | 1000000 | 1.0357639477766001 | 1.0358000000000001 | 3.60522233999738e-05 | 25.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | Propanal, 2,3-dihydroxy-, ()- | 24760 | 56-82-6 | 1 | 90.078999999999994 | 29200 | -0.48924070482336701 | 1.0454000000000001 | 1.5346407048234001 | 18.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | ASPARTIC ACID | 24761 | 56-84-8 | 1 | 133.1 | 5360 | -1.3950132657819001 | 0.66180000000000005 | 2.0568132657819 | 25.0 | YALKOWSKY,SH ; HE,Y (2003) | | GLUTAMINE | 24762 | 56-85-9 | 1 | 146.15 | 41300 | -0.54884876803705396 | 0.83520000000000005 | 1.3840487680371001 | 25.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | GLUTAMIC ACID | 24763 | 56-86-0 | 1 | 147.13 | 8570 | -1.2347204130481999 | 0.12470000000000001 | 1.3594204130481999 | 25.0 | BULL,HB ET AL. (1978) | | LYSINE | 24764 | 56-87-1 | 1 | 146.19 | 1000000 | 0.83508233389904296 | 0.83509999999999995 | 1.76661009569923e-05 | 20.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | CYSTINE | 24765 | 56-89-3 | 1 | 240.3 | 190 | -3.1020001698511002 | 0.43869999999999998 | 3.5407001698511 | 20.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | CREATINE | 24766 | 57-00-1 | 1 | 131.13999999999999 | 13300 | -0.99388353836341103 | 0.88229999999999997 | 1.8761835383634 | 18.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | Glycerophosphoric Acid | 24767 | 57-03-4 | 1 | 172.08 | 1000000 | 0.76426960262059396 | 0.76429999999999998 | 3.03973794060219e-05 | | MERCK INDEX (1996); readily soluble | | 3-ISOTHIOCYANATO-1-PROPENE | 24768 | 57-06-7 | 1 | 99.155000000000001 | 2000 | -1.6952846232067 | -1.7605999999999999 | -0.0653153767932999 | 20.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | STEARIC ACID | 24769 | 57-11-4 | 1 | 284.49 | 0.59699999999999998 | -5.6780926741495001 | -7.4836 | -1.8055073258504999 | 25.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | 1,1-DIMETHYLHYDRAZINE | 24770 | 57-14-7 | 1 | 60.098999999999997 | 1000000 | 1.2211327542551 | 1.2211000000000001 | -3.27542550999649e-05 | | MERCK INDEX (1996) | | MORPHINE | 24771 | 57-27-2 | 1 | 285.35000000000002 | 149 | -3.2821916084726999 | -1.5141 | 1.7680916084727001 | 20.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | PHENYTOIN | 24772 | 57-41-0 | 1 | 252.28 | 32 | -3.8967328440014 | -5.0679999999999996 | -1.1712671559986001 | 22.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | DEMEROL | 24773 | 57-42-1 | 1 | 247.34 | 3215 | -1.8861133791921001 | -2.5102000000000002 | -0.62408662080790001 | 30.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | Fructose | 24774 | 57-48-7 | 1 | 180.16 | 778000 | 0.63532122381843703 | 0.74429999999999996 | 0.108978776181563 | 20.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | SUCROSE | 24775 | 57-50-1 | 1 | 342.3 | 2100000 | 0.78781239559604199 | 0.46560000000000001 | -0.32221239559604198 | 25.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | 1,2-PROPANEDIOL | 24776 | 57-55-6 | 1 | 76.096000000000004 | 1000000 | 1.1186381713974001 | 1.1186 | -3.81713974000331e-05 | 20.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | BETA-PROPIOLACTONE | 24777 | 57-57-8 | 1 | 72.063999999999993 | 370000 | 0.71048335956777997 | 0.1633 | -0.54718335956777997 | 25.0 | DEAN,JA (1985) | | AUREOMYCIN | 24778 | 57-62-5 | 1 | 478.89 | 630 | -2.8808952189105002 | -1.1041000000000001 | 1.7767952189105001 | 25.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | ETHINYL ESTRADIOL | 24779 | 57-63-6 | 1 | 296.41000000000003 | 11.29 | -4.4191989094456003 | -4.3502999999999998 | 0.0688989094456005 | 27.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | SULFANILYL GUANADINE | 24780 | 57-67-0 | 1 | 214.25 | 2200 | -1.9884981497730001 | 0.66910000000000003 | 2.6575981497729999 | | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | CHLORDANE | 24781 | 57-74-9 | 1 | 409.78 | 0.056 | -6.8643627311057998 | -8.0277999999999992 | -1.1634372688942001 | 25.0 | SANBORN,JR ET AL. (1976) | | TESTOSTERONE PROPIONATE | 24782 | 57-85-2 | 1 | 344.5 | 1.48 | -5.3669275108486998 | -5.6432000000000002 | -0.27627248915129998 | 25.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | CHOLESTEROL | 24783 | 57-88-5 | 1 | 386.67 | 0.095 | -6.6096168731202001 | -8.0302000000000007 | -1.4205831268797999 | 30.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | a-Estradiol | 24784 | 57-91-0 | 1 | 272.39 | 3.9 | -4.8441265526587003 | -3.7355999999999998 | 1.1085265526587 | 25.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | 6A-BETA-APORPHINE-10,11-DIOL | 24785 | 58-00-4 | 1 | 267.33 | 16600 | -1.2069396103475001 | -2.464 | -1.2570603896525001 | 16.0 | STEHPHEN,H ; STEPHEN,T (1963) | | LIBRIUM | 24786 | 58-25-3 | 1 | 299.76 | 2000 | -2.1757436844217999 | -4.4301000000000004 | -2.2543563155782 | | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | Prochloroperazine | 24787 | 58-38-8 | 1 | 373.95 | 14.96 | -4.397881944031 | -4.2027999999999999 | 0.19508194403099999 | 24.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | PYRIDOXINE HYDROCHLORIDE | 24788 | 58-56-0 | 1 | 205.64 | 220000 | 0.02931508562721 | 0.68689999999999996 | 0.65758491437278999 | | COFFEN,DL (1978) | | INOSINE | 24789 | 58-63-9 | 1 | 268.23 | 15800 | -1.2298502626454999 | 0.57150000000000001 | 1.8013502626455 | 20.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | DIPHENHYDRAMINE | 24790 | 58-73-1 | 1 | 255.36 | 3064 | -1.9208641087100999 | -3.1955 | -1.2746358912899001 | 37.0 | BEILSTEIN | | PAPAVERINE | 24791 | 58-74-2 | 1 | 339.39 | 35 | -3.9866309974947001 | -5.5260999999999996 | -1.5394690025052999 | 17.0 | BEILSTEIN | | D-Xylose | 24792 | 58-86-6 | 1 | 150.13 | 555000 | 0.56782549852354203 | 0.82350000000000001 | 0.25567450147645798 | | MERCK INDEX (1996) | | GALACTOSE | 24793 | 59-23-4 | 1 | 180.16 | 683000 | 0.57876233051028003 | 0.74429999999999996 | 0.16553766948972001 | | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | NIKETHAMIDE | 24794 | 59-26-7 | 1 | 178.24 | 1000000 | 0.74899482650636495 | -0.2555 | -1.0044948265064 | 25.0 | MERCK INDEX (1989) | | 2-(1H)-QUINOLINONE | 24795 | 59-31-4 | 1 | 145.16 | 1053 | -2.1394185883430001 | -1.8711 | 0.26831858834299999 | 20.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | SULFAQUINOXALINE | 24796 | 59-40-5 | 1 | 300.33999999999997 | 7.5 | -4.6025519130378001 | -2.9942000000000002 | 1.6083519130377999 | | MERCK INDEX (1996); pH 7 | | Thiamine | 24797 | 59-43-8 | 1 | 300.81 | 500000 | 0.22067773467495599 | 0.52170000000000005 | 0.301022265325044 | | MERCK INDEX (1996); approx. | | 1,2-PROPANEDIOL-3-(2-TOLYLOXY) | 24798 | 59-47-2 | 1 | 182.22 | 11800 | -1.1887140349958001 | -0.69750000000000001 | 0.49121403499580002 | 20.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | 3-METHYL-4-CHLOROPHENOL | 24799 | 59-50-7 | 1 | 142.59 | 3834 | -1.5704369604724 | -1.5295000000000001 | 0.0409369604723999 | 25.0 | KUHNE,R ET AL. (1995) | | DL-Methionine | 24800 | 59-51-8 | 1 | 149.21 | 32700 | -0.65925017771017402 | -0.4753 | 0.183950177710174 | 25.0 | YALKOWSKY,SH ; DANNENFELSER,RM (1992) | | 1-Propanol, 2,3-dimercapto- | 24801 | 59-52-9 | 1 | 124.22 | 87000 | -0.15467227229091299 | -0.52649999999999997 | -0.37182772770908701 | | MERCK INDEX (1996) | | a-Glucose-1-phosphate | 24802 | 59-56-3 | 1 | 260.14 | 1000000 | 0.58479286409157005 | 0.58479999999999999 | 7.13590842993383e-06 | | MERCK INDEX (1996); extremely soluble |
|
