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:188
Name:Benfluralin
Description:
Labels:
CAS:1861-40-1
InChi Code:InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
5.29

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.53

experimental value

-5.19

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

Links to External Resources