Molecule ID: mol8653
SMILES: NC(=O)c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI: InChI=1S/C7H4N4O7/c8-7(12)6-4(10(15)16)1-3(9(13)14)2-5(6)11(17)18/h1-2H,(H2,8,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -4.08 | AttenGpKa training set | 1 » 0 |