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: | 1896 | |
|---|---|---|
| Name: | hexafluoropentanedinitrile | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Hexafluoropentanedinitrile | |
| Labels: | ||
| CAS: | 376-89-6 | |
| InChi Code: | InChI=1S/C5F6N2/c6-3(7,1-12)5(10,11)4(8,9)2-13 |
Properties
M12.pLC50: Acute inhalation toxicity in mice as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 6.542 |
experimental value |
| 6.1427 |
Tab2.Model_12: PFC inal. mouse LC50 (Training set) |
M13.pLC50: Acute inhalation toxicity in rat as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 6.4794 |
experimental value |
| 5.919 |
Tab2.Model_13: PFC inal. rat LC50 (Training set) |
M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i
| Value | Source or prediction |
|---|---|
| 1.891 |
experimental value |
| 1.9342 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID20191040 | US EPA CompTox Dashboard |