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:392
Name:N-Methylbenzamide
Description:
Labels:training, Benzamides
CAS:613-93-4
InChi Code:InChI=1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.68

experimental value

1.37

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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