Molecule ID: mol27926
SMILES: O=[N+]([O-])NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI: InChI=1S/C7H6N4O6/c12-9(13)6-2-1-5(4-8-11(16)17)7(3-6)10(14)15/h1-3,8H,4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.31 | AttenGpKa training set | 0 » -1 |