Molecule ID: mol30825
SMILES: O=[N+]([O-])c1ccccc1/N=N/c1ccc(O)cc1O
InChI: InChI=1S/C12H9N3O4/c16-8-5-6-10(12(17)7-8)14-13-9-3-1-2-4-11(9)15(18)19/h1-7,16-17H/b14-13+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -5.53 | AttenGpKa training set | 2 » 1 |
| 2.77 | AttenGpKa training set | 1 » 0 |