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:685
Name:Tralomethrin
Description:
Labels:validation, Other_compounds
CAS:66841-25-6
InChi Code:InChI=1S/C22H19Br4NO3/c1-21(2)17(19(23)22(24,25)26)18(21)20(28)30-16(12-27)13-7-6-10-15(11-13)29-14-8-4-3-5-9-14/h3-11,16-19H,1-2H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
5

experimental value

5.87

Eq1: Linear correlation with logP (Validation set)

5.45

Eq2: Non-linear regression model (Validation set)

5.45

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