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:507
Name:Prednisolone
Description:
Labels:
CAS:50-24-8
InChi Code:InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
1.62

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.18

experimental value

-3.03

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

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