10967/188 - QDB Compounds

QsarDB Repository

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:398
Name:11-Alpha-hydroxyprogesterone
Description:
Labels:
CAS:80-75-1
InChi Code:InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18+,19+,20-,21+/m0/s1

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.36

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.82

experimental value

-3.75

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