Molecule ID: mol14161
SMILES: NCc1ccccc1[N+](=O)[O-]
InChI: InChI=1S/C7H8N2O2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.59 | Datawarrior | 1 » 0 |
| 8.59 | AttenGpKa training set | 1 » 0 |
| 8.59 | QSARToolbox | 1 » 0 |
| 8.59 | OCHEM | 1 » 0 |