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:156
Name:Bromophos
Description:
Labels:
CAS:2104-96-3
InChi Code:InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
5.21

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.09

experimental value

-4.85

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

Links to External Resources