Molecule ID: mol14534
SMILES: Cc1cc(O)n(-c2nc(C)c(C)c(O)n2)n1
InChI: InChI=1S/C10H12N4O2/c1-5-4-8(15)14(13-5)10-11-7(3)6(2)9(16)12-10/h4,15H,1-3H3,(H,11,12,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.50 | Datawarrior | 0 » -1 |
| 5.50 | OCHEM | 0 » -1 |
| 10.30 | Datawarrior | -1 » -2 |
| 10.30 | OCHEM | -1 » -2 |