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:260
Name:Phenmedipham
Description:
Labels:
CAS:13684-63-4
InChi Code:InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
3.59

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.78

experimental value

-4.05

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

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