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:532
Name:Ibuproxam
Description:
Labels:
CAS:53648-05-8
InChi Code:InChI=1S/C13H19NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h4-7,9-10,16H,8H2,1-3H3,(H,14,15)

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.04

experimental value

-3.09

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