Molecule ID: mol25551
SMILES: O=[N+]([O-])c1ccc(-c2cc([N+](=O)[O-])[nH]n2)cc1
InChI: InChI=1S/C9H6N4O4/c14-12(15)7-3-1-6(2-4-7)8-5-9(11-10-8)13(16)17/h1-5H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.59 | AttenGpKa training set | 0 » -1 |
| 7.59 | AttenGpKa training set | 0 » -1 |