10967/188 - QDB Compounds

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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:304
Name:Dehydroisoandrosterone acetate
Description:
Labels:
CAS:853-23-6
InChi Code:InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.46

experimental value

-5.04

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

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