Molecule ID: mol3380
SMILES: Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI: InChI=1S/C6H4N4O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -9.86 | AttenGpKa training set | 1 » 0 |
| -9.41 | QSARToolbox | 1 » 0 |