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:93
Name:2,4,6-Tribromobiphenyl
Description:
Labels:
CAS:59080-33-0
InChi Code:InChI=1S/C12H7Br3/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-7.3

experimental value

-5.93

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