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:574
Name:Sethoxydim
Description:
Labels:training, Organic_sulfides
CAS:74051-80-2
InChi Code:InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,18H,5-11H2,1-4H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2

experimental value

3.61

Eq1: Linear correlation with logP (Training set)

3.56

Eq2: Non-linear regression model (Training set)

3.56

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