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: | 1928 | |
|---|---|---|
| Name: | 1-chloro-2,3,4,5,6-pentafluorobenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: chloropentafluorobenzene | |
| Labels: | ||
| CAS: | 344-07-0 | |
| InChi Code: | InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
Properties
M13.pLC50: Acute inhalation toxicity in rat as log(1/LC50) [-log(mmol/m^3)] i
| Value | Source or prediction |
|---|---|
| 4.6552 |
experimental value |
| 3.8501 |
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 |
|---|---|
| 1.607 |
experimental value |
| 1.9342 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4059837 | US EPA CompTox Dashboard |