Molecule ID: mol21852
SMILES: Cc1ccccc1-c1nc2cc([N+](=O)[O-])ccc2[nH]1
InChI: InChI=1S/C14H11N3O2/c1-9-4-2-3-5-11(9)14-15-12-7-6-10(17(18)19)8-13(12)16-14/h2-8H,1H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.87 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.87 | OCHEM | 1 » 0 |
| 4.87 | OCHEM | 1 » 0 |