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: | 430 | |
|---|---|---|
| Name: | Isocil | |
| Description: | ||
| Labels: | training, Aromatic_Heterocycles | |
| CAS: | 314-42-1 | |
| InChi Code: | InChI=1S/C8H11BrN2O2/c1-4(2)11-7(12)6(9)5(3)10-8(11)13/h4H,1-3H3,(H,10,13) |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.11 |
experimental value |
| 1.82 |
Eq1: Linear correlation with logP (Training set) |
| 1.86 |
Eq2: Non-linear regression model (Training set) |
| 1.86 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2042064 | US EPA CompTox Dashboard |