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:444
Name:4-n-Butylbenzotriazole
Description:
Labels:training, Aromatic_Heterocycles
CAS:708-43-0
InChi Code:InChI=1S/C10H13N3/c1-2-3-8-13-10-7-5-4-6-9(10)11-12-13/h4-7H,2-3,8H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.16

experimental value

2.41

Eq1: Linear correlation with logP (Training set)

2.33

Eq2: Non-linear regression model (Training set)

2.33

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