Molecule ID: mol3405
SMILES: O=[N+]([O-])c1ccc(/N=N/c2ccccc2)cc1
InChI: InChI=1S/C12H9N3O2/c16-15(17)12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H/b14-13+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -3.47 | IUPAC digitized pKa | 2 » 1 |
| -3.40 | AttenGpKa training set | 2 » 1 |