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:374
Name:Prasterone
Description:
Labels:
CAS:53-43-0
InChi Code:InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
3.23

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.01

experimental value

-3.82

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

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