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: | 1934 | |
|---|---|---|
| Name: | (2Z)-2-chloro-1,1,1,4,4,4-hexafluorobut-2-ene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1,1,1,4,4,4-Hexafluoro-2-chloro-2-butene | |
| Labels: | ||
| CAS: | 400-44-2 | |
| InChi Code: | InChI=1S/C4HClF6/c5-2(4(9,10)11)1-3(6,7)8/h1H/b2-1- |
Properties
M13.pLC50: Acute inhalation toxicity in rat as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 4.8206 |
experimental value |
| 3.8534 |
Tab2.Model_13: PFC inal. rat LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4073178 | US EPA CompTox Dashboard |