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:179
Name:Oxadiazon
Description:
Labels:
CAS:19666-30-9
InChi Code:InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
4.8

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.69

experimental value

-4.94

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

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