Molecule ID: mol3367
SMILES: O=[N+]([O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1
InChI: InChI=1S/C12H9N3O4/c16-14(17)11-5-1-9(2-6-11)13-10-3-7-12(8-4-10)15(18)19/h1-8,13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -6.20 | IUPAC digitized pKa | 1 » 0 |
| -6.20 | OCHEM | 1 » 0 |
| -6.20 | OCHEM | 1 » 0 |
| -6.20 | QSARToolbox | 1 » 0 |