Molecule ID: mol13086
SMILES: O=C(O)c1cc[n+](O)cc1
InChI: InChI=1S/C6H5NO3/c8-6(9)5-1-3-7(10)4-2-5/h1-4H,(H-,8,9,10)/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.48 | Datawarrior | 1 » 0 |
| -0.48 | AttenGpKa training set | 1 » 0 |
| -0.48 | OCHEM | 1 » 0 |