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: | 1156 | |
|---|---|---|
| Name: | 6-nitro-1H-1,3-benzodiazole | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1H-Benzimidazole. 5-nitro- The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 94-52-0 | |
| InChi Code: | InChI=1S/C7H5N3O2/c11-10(12)5-1-2-6-7(3-5)9-4-8-6/h1-4H,(H,8,9) |
Properties
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -1.149174539 |
experimental value |
| -1.0619 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |