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:364
Name:Desmedipham
Description:
Labels:training, Phenylcarbamates
CAS:13684-56-5
InChi Code:InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.18

experimental value

2.8

Eq1: Linear correlation with logP (Training set)

2.69

Eq2: Non-linear regression model (Training set)

2.69

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

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