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:603
Name:Metoxuron
Description:
Labels:
CAS:19937-59-8
InChi Code:InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
1.64

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.56

experimental value

-2.28

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

Links to External Resources