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:103
Name:p-Terphenyl
Description:
Labels:
CAS:92-94-4
InChi Code:InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
6.03

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-7.11

experimental value

-7.3

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

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