Molecule ID: mol7661
SMILES: Nc1nc(Cc2n[nH]c(N)n2)n[nH]1
InChI: InChI=1S/C5H8N8/c6-4-8-2(10-12-4)1-3-9-5(7)13-11-3/h1H2,(H3,6,8,10,12)(H3,7,9,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.30 | IUPAC digitized pKa | 2 » 1 |
| 4.05 | IUPAC digitized pKa | 1 » 0 |