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: | 941 | |
|---|---|---|
| Name: | 5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Etridiazole | |
| Labels: | ||
| CAS: | 2593-15-9 | |
| InChi Code: | InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3 |
experimental value |
| 2.8011 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3032547 | US EPA CompTox Dashboard |