Molecule ID: mol7670
SMILES: CCc1nnc(CC)n1NCC(C)([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C9H16N6O4/c1-4-7-11-12-8(5-2)13(7)10-6-9(3,14(16)17)15(18)19/h10H,4-6H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | IUPAC digitized pKa | 1 » 0 |
| 3.57 | IUPAC digitized pKa | 1 » 0 |