Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 978 | |
|---|---|---|
| Name: | 2-chloro-6-methoxy-4-(trichloromethyl)pyridine | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Pyroxychlor | |
| Labels: | ||
| CAS: | 7159-34-4 | |
| InChi Code: | InChI=1S/C7H5Cl4NO/c1-13-6-3-4(7(9,10)11)2-5(8)12-6/h2-3H,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.48 |
experimental value |
| 3.2556 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1042362 | US EPA CompTox Dashboard |