HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-{3-Nitroanilino}nicotinamide
Identifiers & Physical Properties
| Molecular formula | C12H10N4O3 |
|---|---|
| Average molar mass | 258.23 g/mol |
| Monoisotopic mass | 258.07529019 g/mol |
| SMILES | NC(=O)c1cccnc1Nc1cccc([N+](=O)[O-])c1 |
| InChIKey | GZFVXWJVRLWUKL-UHFFFAOYSA-N |
| PubChem CID | 901913 |
| ChEMBL | CHEMBL1495372 |
Chemical & Physical Properties
| XLogP | 2 |
|---|---|
| Topological polar surface area | 114 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 19 |
| Formal charge | 0 |
| Complexity | 344 |