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:448
Name:Methabenzthiazuron
Description:
Labels:training, Aromatic_Heterocycles
CAS:18691-97-9
InChi Code:InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.8

experimental value

1.98

Eq1: Linear correlation with logP (Training set)

1.98

Eq2: Non-linear regression model (Training set)

1.98

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

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