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:333
Name:Siduron
Description:
Labels:training, Phenylureas_and_methylureas
CAS:1982-49-6
InChi Code:InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.31

experimental value

2.99

Eq1: Linear correlation with logP (Training set)

2.88

Eq2: Non-linear regression model (Training set)

2.88

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

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