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:896
Name:Dimethoate
Description:
Labels:
CAS:60-51-5
InChi Code:InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
0.78

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-0.74

experimental value

-0.52

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

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