Molecule ID: mol25552
SMILES: O=[N+]([O-])c1[nH]nc(-c2ccccc2)c1[N+](=O)[O-]
InChI: InChI=1S/C9H6N4O4/c14-12(15)8-7(6-4-2-1-3-5-6)10-11-9(8)13(16)17/h1-5H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.09 | AttenGpKa training set | 0 » -1 |
| 5.09 | AttenGpKa training set | 0 » -1 |