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:638
Name:4-Chlorobenzaloxime-N-methylcarbamate
Description:
Labels:validation, Other_compounds
CAS:71059-53-5
InChi Code:InChI=1S/C9H9ClN2O2/c1-14-9(13)12-11-6-7-4-2-3-5-8(7)10/h2-6H,1H3,(H,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.8

experimental value

2.2

Eq1: Linear correlation with logP (Validation set)

2.15

Eq2: Non-linear regression model (Validation set)

2.15

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