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:207
Name:Imazapyr acid
Description:
Labels:training, Organic_acids
CAS:81334-34-1
InChi Code:InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2

experimental value

2.04

Eq1: Linear correlation with logP (Training set)

2.02

Eq2: Non-linear regression model (Training set)

1.62

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