Molecule ID: mol21551
SMILES: O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)c[nH]2)c1
InChI: InChI=1S/C15H11N3O2/c19-18(20)13-8-4-7-12(9-13)15-16-10-14(17-15)11-5-2-1-3-6-11/h1-10H,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.92 | OCHEM | 1 » 0 |
| 4.92 | Baltruschat ChEMBL | 1 » 0 |