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: | 1974 | |
|---|---|---|
| Name: | 5,7-difluoro-2-(trifluoromethyl)-1H-1,3-benzodiazole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4,6-Difluoro-2-(trifluoromethyl)benzimidazole | |
| Labels: | ||
| CAS: | 89426-93-7 | |
| InChi Code: | InChI=1S/C8H3F5N2/c9-3-1-4(10)6-5(2-3)14-7(15-6)8(11,12)13/h1-2H,(H,14,15) |
Properties
M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i
| Value | Source or prediction |
|---|---|
| 4.95 |
experimental value |
| 4.775 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |