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:511
Name:Isazophos
Description:
Labels:training, Organic_phosphides
CAS:42509-80-8
InChi Code:InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3

Properties

logKoc: Logarithm of soil sorption coefficient i

ValueSource or prediction
2.01

experimental value

2.67

Eq1: Linear correlation with logP (Training set)

2.56

Eq2: Non-linear regression model (Training set)

2.56

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

Links to External Resources