Molecule ID: mol21801
SMILES: Nc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1
InChI: InChI=1S/C12H11N3O2/c13-9-1-3-10(4-2-9)14-11-5-7-12(8-6-11)15(16)17/h1-8,14H,13H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.38 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.38 | OCHEM | 1 » 0 |
| 4.38 | QSARToolbox | 1 » 0 |