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: | 849 | |
|---|---|---|
| Name: | 1,1,1,2-tetrachloroethane | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,1,1,2-Tetrachloroethane | |
| Labels: | ||
| CAS: | 630-20-6 | |
| InChi Code: | InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2 |
Properties
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.73 |
experimental value |
| 2.3355 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2021317 | US EPA CompTox Dashboard |