Molecule ID: mol7503
SMILES: CNc1nc(C)nc(NC)c1[N+](=O)[O-]
InChI: InChI=1S/C7H11N5O2/c1-4-10-6(8-2)5(12(13)14)7(9-3)11-4/h1-3H3,(H2,8,9,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.38 | IUPAC digitized pKa | 1 » 0 |
| 3.43 | AttenGpKa training set | 1 » 0 |