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:443
Name:Carbendazim (MBC)
Description:
Labels:training, Aromatic_Heterocycles
CAS:10605-21-7
InChi Code:InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.35

experimental value

1.66

Eq1: Linear correlation with logP (Training set)

1.74

Eq2: Non-linear regression model (Training set)

1.74

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

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