Molecule ID: mol7143
SMILES: CNc1ncnc(NC)c1[N+](=O)[O-]
InChI: InChI=1S/C6H9N5O2/c1-7-5-4(11(12)13)6(8-2)10-3-9-5/h3H,1-2H3,(H2,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.52 | IUPAC digitized pKa | 1 » 0 |
| 2.57 | AttenGpKa training set | 1 » 0 |