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:722
Name:p-Acetoxyacetanilide
Description:
Labels:
CAS:2623-33-8
InChi Code:InChI=1S/C10H11NO3/c1-7(12)11-9-3-5-10(6-4-9)14-8(2)13/h3-6H,1-2H3,(H,11,12)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
0.8

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.91

experimental value

-1.45

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

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