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:343
Name:1-Bromonaphthalene
Description:
Labels:
CAS:90-11-9
InChi Code:InChI=1S/C10H7Br/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.19

experimental value

-3.68

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