Molecule ID: mol4534
SMILES: O=[N+]([O-])c1cccc2[nH]cnc12
InChI: InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-7(6)9-4-8-5/h1-4H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.33 | IUPAC digitized pKa | 1 » 0 |
| 3.33 | AttenGpKa training set | 1 » 0 |