Molecule ID: mol21558
SMILES: O=[N+]([O-])c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1
InChI: InChI=1S/C15H11N3O2/c19-18(20)13-8-6-11(7-9-13)14-10-16-15(17-14)12-4-2-1-3-5-12/h1-10H,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.12 | OCHEM | 1 » 0 |
| 5.12 | Baltruschat ChEMBL | 1 » 0 |