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:485
Name:Anilazine
Description:
Labels:training, Symtriazines
CAS:101-05-3
InChi Code:InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3

experimental value

1.76

Eq1: Linear correlation with logP (Training set)

1.81

Eq2: Non-linear regression model (Training set)

1.81

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

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