Molecule ID: mol13010
SMILES: O=[N+]([O-])c1cc[n+](O)cc1
InChI: InChI=1S/C5H5N2O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H/q+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.70 | Datawarrior | 1 » 0 |
| -1.70 | OCHEM | 1 » 0 |
| -1.50 | AttenGpKa training set | 1 » 0 |