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:369
Name:Norflurazon
Description:
Labels:
CAS:27314-13-2
InChi Code:InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.45

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.04

experimental value

-3.91

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

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