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:1022
Name:Glycerol
Description:
Labels:
CAS:56-81-5
InChi Code:InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
-1.96

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
1.12

experimental value

2.04

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

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