Molecule ID: mol31458
SMILES: CN(O)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChI: InChI=1S/C8H7N3O6/c1-9(13)8(12)5-2-6(10(14)15)4-7(3-5)11(16)17/h2-4,13H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.41 | QSARToolbox | 0 » -1 |
| 7.41 | AttenGpKa training set | 0 » -1 |