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:553
Name:Chlorthiamid
Description:
Labels:training, Organic_sulfides
CAS:1918-13-4
InChi Code:InChI=1S/C7H5Cl2NS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.26

experimental value

2.99

Eq1: Linear correlation with logP (Training set)

2.87

Eq2: Non-linear regression model (Training set)

2.87

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

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