Molecule ID: mol4648
SMILES: O=[N+]([O-])c1ccc2ncncc2c1
InChI: InChI=1S/C8H5N3O2/c12-11(13)7-1-2-8-6(3-7)4-9-5-10-8/h1-5H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.16 | QSARToolbox | 1 » 0 |
| 4.16 | IUPAC digitized pKa | 1 » 0 |
| 4.18 | AttenGpKa training set | 1 » 0 |