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:566
Name:Aldicarb
Description:
Labels:training, Organic_sulfides
CAS:116-06-3
InChi Code:InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5-

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.5

experimental value

1.44

Eq1: Linear correlation with logP (Training set)

1.59

Eq2: Non-linear regression model (Training set)

1.59

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

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