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:951
Name:Trichlorfon
Description:
Labels:
CAS:52-68-6
InChi Code:InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
0.51

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-0.22

experimental value

-0.76

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

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