Molecule ID: mol13763
SMILES: ONc1cc[n+](O)c2ccccc12
InChI: InChI=1S/C9H8N2O2/c12-10-8-5-6-11(13)9-4-2-1-3-7(8)9/h1-6,12-13H/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.74 | AttenGpKa training set | 1 » 0 |
| 3.89 | Datawarrior | 1 » 0 |
| 3.89 | OCHEM | 1 » 0 |