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:661
Name:Fensulfothion
Description:In original publication melting point for this compound was denoted as <25C.
Labels:
CAS:115-90-2
InChi Code:InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
2.23

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.3

experimental value

-1.74

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

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