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:141
Name:Anthracene
Description:
Labels:
CAS:120-12-7
InChi Code:InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
4.45

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.35

experimental value

-5.9

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

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