10967/159 - QDB Compounds

QsarDB Repository

Wen, Y.; Su, L. M.; Qin, W. C.; Fu, L.; He, J.; Zhao, Y. H. Linear and non-linear relationships between soil sorption and hydrophobicity: Model, validation and influencing factors. Chemosphere 2012, 86, 634–640.

Compound

ID:684
Name:Flucythrinate
Description:
Labels:validation, Other_compounds
CAS:70124-77-5
InChi Code:InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
5

experimental value

4.46

Eq1: Linear correlation with logP (Validation set)

4.59

Eq2: Non-linear regression model (Validation set)

4.59

Eq3: Non-linear regression model with correction factors (Validation set)