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:556
Name:p-Chloroacetanilide
Description:
Labels:
CAS:539-03-7
InChi Code:InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.12

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.84

experimental value

-3.16

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

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