Molecule ID: mol7047
SMILES: CN(C)c1nc(N)ncc1[N+](=O)[O-]
InChI: InChI=1S/C6H9N5O2/c1-10(2)5-4(11(12)13)3-8-6(7)9-5/h3H,1-2H3,(H2,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.44 | IUPAC digitized pKa | 1 » 0 |
| 3.49 | AttenGpKa training set | 1 » 0 |