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: | 471 | |
|---|---|---|
| Name: | Simazine | |
| Description: | ||
| Labels: | training, Symtriazines | |
| CAS: | 122-34-9 | |
| InChi Code: | InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13) |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.1 |
experimental value |
| 2.19 |
Eq1: Linear correlation with logP (Training set) |
| 2.14 |
Eq2: Non-linear regression model (Training set) |
| 2.14 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4021268 | US EPA CompTox Dashboard |