Molecule ID: mol4895
SMILES: COc1nc2ncncc2[nH]1
InChI: InChI=1S/C6H6N4O/c1-11-6-9-4-2-7-3-8-5(4)10-6/h2-3H,1H3,(H,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.11 | IUPAC digitized pKa | 1 » 0 |
| 3.14 | Datawarrior | 1 » 0 |
| 3.14 | OCHEM | 1 » 0 |
| 7.73 | Datawarrior | 0 » -1 |
| 7.73 | OCHEM | 0 » -1 |
| 7.76 | IUPAC digitized pKa | 0 » -1 |