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:40
Name:Etofenprox
Description:
Labels:
CAS:80844-07-1
InChi Code:InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
7.05

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-8.6

experimental value

-6.98

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

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