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:258
Name:Norethisterone acetate
Description:
Labels:
CAS:51-98-9
InChi Code:InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.79

experimental value

-4.6

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

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