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:408
Name:Betamethasone
Description:
Labels:
CAS:378-44-9
InChi Code:InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.01

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.77

experimental value

-3.3

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

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