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:151
Name:5-Indanol
Description:
Labels:training, Phenols
CAS:1470-94-6
InChi Code:InChI=1S/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
3.6

experimental value

2.46

Eq1: Linear correlation with logP (Training set)

2.37

Eq2: Non-linear regression model (Training set)

2.37

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

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