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:161
Name:Difluron
Description:
Labels:
CAS:35367-38-5
InChi Code:InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
3.88

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.02

experimental value

-5.51

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

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