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:172
Name:2-Methylphenanthrene
Description:
Labels:
CAS:2531-84-2
InChi Code:InChI=1S/C15H12/c1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15/h2-10H,1H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
4.86

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.84

experimental value

-4.81

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

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