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:267
Name:Fenoxycarb
Description:
Labels:
CAS:72490-01-8
InChi Code:InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
4.3

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.7

experimental value

-4.25

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

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