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:378
Name:Propoxur
Description:
Labels:training, Phenylcarbamates
CAS:114-26-1
InChi Code:InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
1.67

experimental value

1.9

Eq1: Linear correlation with logP (Training set)

1.91

Eq2: Non-linear regression model (Training set)

1.91

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

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