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:166
Name:9-Methylanthracene
Description:
Labels:
CAS:779-02-2
InChi Code:InChI=1S/C15H12/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13/h2-10H,1H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
5.07

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.89

experimental value

-5.03

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

Links to External Resources