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:206
Name:Triclopyr
Description:
Labels:training, Organic_acids
CAS:55335-06-3
InChi Code:InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.67

experimental value

2.36

Eq1: Linear correlation with logP (Training set)

2.29

Eq2: Non-linear regression model (Training set)

1.89

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

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