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:116
Name:Oryzalin
Description:
Labels:training, Nitro-N-alkylanilines
CAS:19044-88-3
InChi Code:InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.4

experimental value

2.73

Eq1: Linear correlation with logP (Training set)

2.62

Eq2: Non-linear regression model (Training set)

2.62

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

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