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:411
Name:Diuron
Description:
Labels:
CAS:330-54-1
InChi Code:InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.68

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.76

experimental value

-3.52

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

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