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:416
Name:Ancymidol
Description:
Labels:training, Aromatic_Heterocycles
CAS:12771-68-5
InChi Code:InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.08

experimental value

1.6

Eq1: Linear correlation with logP (Training set)

1.70

Eq2: Non-linear regression model (Training set)

1.7

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

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