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:251
Name:Chloroxuron
Description:
Labels:
CAS:1982-47-4
InChi Code:InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.89

experimental value

-4.55

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

Links to External Resources