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:380
Name:Methyl-N-(3,4-dichlorophenyl)carbamate
Description:
Labels:training, Phenylcarbamates
CAS:18315-50-9
InChi Code:InChI=1S/C8H7Cl2NO2/c1-11-8(12)13-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.74

experimental value

2.6

Eq1: Linear correlation with logP (Training set)

2.50

Eq2: Non-linear regression model (Training set)

2.5

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