Molecule ID: mol7660
SMILES: Nc1nc(CCc2n[nH]c(N)n2)n[nH]1
InChI: InChI=1S/C6H10N8/c7-5-9-3(11-13-5)1-2-4-10-6(8)14-12-4/h1-2H2,(H3,7,9,11,13)(H3,8,10,12,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | IUPAC digitized pKa | 2 » 1 |
| 4.86 | IUPAC digitized pKa | 1 » 0 |