Molecule ID: mol4886
SMILES: Cn1cnc2cnc(O)nc21
InChI: InChI=1S/C6H6N4O/c1-10-3-8-4-2-7-6(11)9-5(4)10/h2-3H,1H3,(H,7,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.19 | OCHEM | 0 » -1 |
| 9.19 | Datawarrior | 0 » -1 |
| 9.22 | IUPAC digitized pKa | 0 » -1 |