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:419
Name:Amitrol
Description:
Labels:training, Aromatic_Heterocycles
CAS:61-82-5
InChi Code:InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.25

experimental value

-0.3

Eq1: Linear correlation with logP (Training set)

0.75

Eq2: Non-linear regression model (Training set)

0.75

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

Links to External Resources