Molecule ID: mol24004
SMILES: [2H]C([2H])([2H])Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI: InChI=1S/C7H6N4O6/c1-8-7-5(10(14)15)2-4(9(12)13)3-6(7)11(16)17/h2-3,8H,1H3/i1D3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -5.78 | AttenGpKa training set | 1 » 0 |