10967/188 - QDB Compounds

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Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.

Compound

ID:383
Name:17-Methyltestosterone
Description:
Labels:
CAS:58-18-4
InChi Code:InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
3.36

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.97

experimental value

-4.63

Eq.1: General solubility equation (Test set to verify GSE)

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