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:462
Name:Ethofumesate
Description:
Labels:
CAS:26225-79-6
InChi Code:InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.7

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.42

experimental value

-2.27

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

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