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:739
Name:3-Ethoxy-4-hydroxybenzaldehyde
Description:
Labels:
CAS:121-32-4
InChi Code:InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
1.61

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.77

experimental value

-1.83

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

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