Molecule ID: mol16132
SMILES: O=[N+]([O-])c1ccccc1-c1nc2ccccc2[nH]1
InChI: InChI=1S/C13H9N3O2/c17-16(18)12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13/h1-8H,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.69 | OCHEM | 1 » 0 |
| 5.69 | Baltruschat ChEMBL | 1 » 0 |
| 11.38 | OCHEM | 0 » -1 |
| 11.38 | Baltruschat ChEMBL | 0 » -1 |