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:429
Name:Pyrazon
Description:
Labels:training, Aromatic_Heterocycles
CAS:1698-60-8
InChi Code:InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.08

experimental value

1.36

Eq1: Linear correlation with logP (Training set)

1.54

Eq2: Non-linear regression model (Training set)

1.54

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

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