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:55
Name:2,2',5,5'-Tetrabromobiphenyl
Description:
Labels:
CAS:59080-37-4
InChi Code:InChI=1S/C12H6Br4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-8.06

experimental value

-7.56

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