Molecule ID: mol4647
SMILES: O=[N+]([O-])c1cccc2ncncc12
InChI: InChI=1S/C8H5N3O2/c12-11(13)8-3-1-2-7-6(8)4-9-5-10-7/h1-5H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.73 | IUPAC digitized pKa | 1 » 0 |
| 3.73 | QSARToolbox | 1 » 0 |
| 3.75 | AttenGpKa training set | 1 » 0 |