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:564
Name:Triallate
Description:
Labels:training, Organic_sulfides
CAS:2303-17-5
InChi Code:InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.35

experimental value

3.59

Eq1: Linear correlation with logP (Training set)

3.53

Eq2: Non-linear regression model (Training set)

3.53

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

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