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: | 1975 | |
|---|---|---|
| Name: | 5-chloro-2,7-bis(trifluoromethyl)-1H-1,3-benzodiazole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,4-Bis(trifluoromethyl)-6-chlorobenzimidazole | |
| Labels: | ||
| CAS: | 89427-09-8 | |
| InChi Code: | InChI=1S/C9H3ClF6N2/c10-3-1-4(8(11,12)13)6-5(2-3)17-7(18-6)9(14,15)16/h1-2H,(H,17,18) |
Properties
M14.pLD50: Acute oral toxicity in rat as log(1/LD50) [-log(mmol/kg)] i
| Value | Source or prediction |
|---|---|
| 5.24 |
experimental value |
| 4.753 |
Tab2.Model_14: PFC oral rat LD50 (Training set) |