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:358
Name:Propyl-N-phenylcarbamate
Description:
Labels:training, Phenylcarbamates
CAS:5532-90-1
InChi Code:InChI=1S/C10H13NO2/c1-2-8-13-10(12)11-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,11,12)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.06

experimental value

2.23

Eq1: Linear correlation with logP (Training set)

2.18

Eq2: Non-linear regression model (Training set)

2.18

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