Molecule ID: mol8069
SMILES: NC1=Nc2nccnc2C(C[N+](=O)[O-])N1
InChI: InChI=1S/C7H8N6O2/c8-7-11-4(3-13(14)15)5-6(12-7)10-2-1-9-5/h1-2,4H,3H2,(H3,8,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | IUPAC digitized pKa | 1 » 0 |
| 7.25 | AttenGpKa training set | 1 » 0 |