Molecule ID: mol25573
SMILES: Cc1ccn(-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)n1
InChI: InChI=1S/C10H8N4O4/c1-7-4-5-12(11-7)8-2-3-9(13(15)16)10(6-8)14(17)18/h2-6H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.28 | AttenGpKa training set | 1 » 0 |