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:204
Name:Megestrol acetate
Description:
Labels:
CAS:595-33-5
InChi Code:InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.35

experimental value

-4.97

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

Links to External Resources