Molecule ID: mol3823
SMILES: Nc1cc[n+]([O-])cc1
InChI: InChI=1S/C5H6N2O/c6-5-1-3-7(8)4-2-5/h1-4H,6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.54 | QSARToolbox | 1 » 0 |
| 3.61 | OCHEM | 1 » 0 |
| 3.61 | Datawarrior | 1 » 0 |
| 3.65 | QSARToolbox | 1 » 0 |
| 3.69 | QSARToolbox | 1 » 0 |