Molecule ID: mol15700
SMILES: Cc1cc(O)nc(-n2nc(C)cc2O)n1
InChI: InChI=1S/C9H10N4O2/c1-5-3-7(14)11-9(10-5)13-8(15)4-6(2)12-13/h3-4,15H,1-2H3,(H,10,11,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.23 | Datawarrior | 0 » -1 |
| 5.23 | OCHEM | 0 » -1 |
| 10.00 | Datawarrior | -1 » -2 |
| 10.00 | OCHEM | -1 » -2 |