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: | 1969 | |
|---|---|---|
| Name: | 4,5,6,7-tetrafluoro-2-(trifluoromethyl)-1H-1,3-benzodiazole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4,5,6,7-Tetrafluoro-2-(trifluoromethyl)benzimidazole | |
| Labels: | ||
| CAS: | 2355-43-3 | |
| InChi Code: | InChI=1S/C8HF7N2/c9-1-2(10)4(12)6-5(3(1)11)16-7(17-6)8(13,14)15/h(H,16,17) |
Properties
M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i
| Value | Source or prediction |
|---|---|
| 4.889 |
experimental value |
| 5.1221 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |