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:315
Name:2-Chlorophenylurea
Description:
Labels:training, Phenylureas_and_methylureas
CAS:114-38-5
InChi Code:InChI=1S/C7H7ClN2O/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.61

experimental value

1.41

Eq1: Linear correlation with logP (Training set)

1.57

Eq2: Non-linear regression model (Training set)

1.57

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

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