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:634
Name:Cinmethylin
Description:
Labels:validation, Other_compounds
CAS:87818-31-3
InChi Code:InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.6

experimental value

3.44

Eq1: Linear correlation with logP (Validation set)

3.36

Eq2: Non-linear regression model (Validation set)

3.36

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