Molecule ID: mol16648
SMILES: Nc1n[nH]c(-c2ccncc2)n1
InChI: InChI=1S/C7H7N5/c8-7-10-6(11-12-7)5-1-3-9-4-2-5/h1-4H,(H3,8,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.38 | Baltruschat ChEMBL | 2 » 1 |
| 4.74 | Baltruschat ChEMBL | 1 » 0 |
| 9.50 | Baltruschat ChEMBL | 0 » -1 |