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:688
Name:Ethiofencarb
Description:In original publication melting point for this compound was denoted as <25C.
Labels:
CAS:29973-13-5
InChi Code:InChI=1S/C11H15NO2S/c1-3-15-8-9-6-4-5-7-10(9)14-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.04

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.09

experimental value

-1.7

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

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