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:442
Name:Napropamide
Description:
Labels:
CAS:15299-99-7
InChi Code:InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
3.36

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.57

experimental value

-3.79

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

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