Molecule ID: mol13409
SMILES: O=[N+]([O-])c1ccc(O)c2ncccc12
InChI: InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.00 | Baltruschat ChEMBL | 1 » 0 |
| 2.88 | Datawarrior | 1 » 0 |
| 2.88 | OCHEM | 1 » 0 |
| 2.88 | QSARToolbox | 1 » 0 |
| 2.88 | QSARToolbox | 1 » 0 |
| 3.68 | Baltruschat ChEMBL | 0 » -1 |
| 5.97 | Baltruschat ChEMBL | 0 » -1 |