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:209
Name:Endothal
Description:
Labels:training, Organic_acids
CAS:145-73-3
InChi Code:InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.09

experimental value

0.11

Eq1: Linear correlation with logP (Training set)

0.90

Eq2: Non-linear regression model (Training set)

0.5

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

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