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:594
Name:Benazolin
Description:
Labels:
CAS:3813-05-6
InChi Code:InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
1.3

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.61

experimental value

-2.51

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

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