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:372
Name:3-Bromophenylcarbamate
Description:
Labels:training, Phenylcarbamates
CAS:
InChi Code:InChI=1S/C7H6BrNO2/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4H,(H2,9,10)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.89

experimental value

2.14

Eq1: Linear correlation with logP (Training set)

2.10

Eq2: Non-linear regression model (Training set)

2.1

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