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:269
Name:1,5-Dimethylnaphthalene
Description:
Labels:
CAS:571-61-9
InChi Code:InChI=1S/C12H12/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-8H,1-2H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
4.38

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.69

experimental value

-4.37

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

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