Molecule ID: mol6685
SMILES: Cc1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1
InChI: InChI=1S/C10H8N4O4/c1-7-5-12(6-11-7)9-3-2-8(13(15)16)4-10(9)14(17)18/h2-6H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.84 | IUPAC digitized pKa | 1 » 0 |
| 4.84 | AttenGpKa training set | 1 » 0 |