Molecule ID: mol6913
SMILES: Cc1ccn(-c2ccc([N+](=O)[O-])cc2)n1
InChI: InChI=1S/C10H9N3O2/c1-8-6-7-12(11-8)9-2-4-10(5-3-9)13(14)15/h2-7H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.13 | AttenGpKa training set | 1 » 0 |
| 0.14 | IUPAC digitized pKa | 1 » 0 |