Molecule ID: mol16163
SMILES: Cc1ccc2nc(N)nc(O)c2c1
InChI: InChI=1S/C9H9N3O/c1-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-4H,1H3,(H3,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | Baltruschat ChEMBL | 1 » 0 |
| 9.40 | Baltruschat ChEMBL | 0 » -1 |