Molecule ID: mol4650
SMILES: O=[N+]([O-])c1cccc2cncnc12
InChI: InChI=1S/C8H5N3O2/c12-11(13)7-3-1-2-6-4-9-5-10-8(6)7/h1-5H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.98 | IUPAC digitized pKa | 1 » 0 |
| 3.98 | QSARToolbox | 1 » 0 |
| 4.00 | AttenGpKa training set | 1 » 0 |