Molecule ID: mol6684
SMILES: Cc1nccn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI: InChI=1S/C10H8N4O4/c1-7-11-4-5-12(7)9-3-2-8(13(15)16)6-10(9)14(17)18/h2-6H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.34 | AttenGpKa training set | 1 » 0 |
| 5.38 | IUPAC digitized pKa | 1 » 0 |