Molecule ID: mol13372
SMILES: Cc1cc([N+](=O)[O-])cc2c1nnn2O
InChI: InChI=1S/C7H6N4O3/c1-4-2-5(11(13)14)3-6-7(4)8-9-10(6)12/h2-3,12H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.43 | Datawarrior | 0 » -1 |
| 3.43 | AttenGpKa training set | 0 » -1 |
| 3.43 | QSARToolbox | 0 » -1 |
| 3.43 | OCHEM | 0 » -1 |