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:379
Name:Methyl-N-(3-chlorophenyl)carbamate
Description:
Labels:training, Phenylcarbamates
CAS:4090-00-0
InChi Code:InChI=1S/C8H8ClNO2/c1-10-8(11)12-7-4-2-3-6(9)5-7/h2-5H,1H3,(H,10,11)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.15

experimental value

2.17

Eq1: Linear correlation with logP (Training set)

2.12

Eq2: Non-linear regression model (Training set)

2.12

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