Molecule ID: mol9933
SMILES: N#[N+]c1ccc(O)cc1
InChI: InChI=1S/C6H4N2O/c7-8-5-1-3-6(9)4-2-5/h1-4H/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | IUPAC digitized pKa | 2 » 1 |
| 3.40 | AttenGpKa training set | 2 » 1 |
| 3.47 | IUPAC digitized pKa | 2 » 1 |