Molecule ID: mol15695
SMILES: O=[N+]([O-])c1cc2cn[nH]c2cc1[N+](=O)[O-]
InChI: InChI=1S/C7H4N4O4/c12-10(13)6-1-4-3-8-9-5(4)2-7(6)11(14)15/h1-3H,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.89 | AttenGpKa training set | 1 » 0 |
| -0.73 | OCHEM | 1 » 0 |
| -0.73 | Datawarrior | 1 » 0 |