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:176
Name:Carbophenothion
Description:In original publication melting point for this compound was denoted as <25C.
Labels:
CAS:786-19-6
InChi Code:InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
5.33

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.74

experimental value

-5.44

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

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