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:440
Name:11-Hydroxyisoandrosterone
Description:
Labels:
CAS:514-17-0
InChi Code:InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11?,12-,13-,14-,15?,17+,18-,19-/m0/s1

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.59

experimental value

-3.81

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