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: | 414 | |
|---|---|---|
| Name: | Metacil | |
| Description: | ||
| Labels: | training, Aromatic_Heterocycles | |
| CAS: | 56-04-2 | |
| InChi Code: | InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9) |
Properties
logKoc: Logarithm of soil sorption coefficient i
| Value | Source or prediction |
|---|---|
| 2.14 |
experimental value |
| 1.14 |
Eq1: Linear correlation with logP (Training set) |
| 1.41 |
Eq2: Non-linear regression model (Training set) |
| 1.41 |
Eq3: Non-linear regression model with correction factors (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020890 | US EPA CompTox Dashboard |