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:268
Name:17alpha-Hydroxyprogesterone
Description:
Labels:
CAS:68-96-2
InChi Code:InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
3.17

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.7

experimental value

-4.56

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

Links to External Resources