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:307
Name:Norethindrone
Description:
Labels:
CAS:68-22-4
InChi Code:InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.97

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.44

experimental value

-4.06

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

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