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:391
Name:3,5-Dinitrobenzamide
Description:
Labels:training, Benzamides
CAS:121-81-3
InChi Code:InChI=1S/C7H5N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,(H2,8,11)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.31

experimental value

1.11

Eq1: Linear correlation with logP (Training set)

1.39

Eq2: Non-linear regression model (Training set)

1.39

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

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