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:629
Name:8-Quinolinol
Description:
Labels:
CAS:148-24-3
InChi Code:InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.02

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.42

experimental value

-2.05

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

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