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:449
Name:4-Fluorobenzotriazole
Description:
Labels:training, Aromatic_Heterocycles
CAS:
InChi Code:InChI=1S/C6H4FN3/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,(H,8,9,10)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.87

experimental value

1.94

Eq1: Linear correlation with logP (Training set)

1.94

Eq2: Non-linear regression model (Training set)

1.94

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