Molecule ID: mol10110
SMILES: Cn1cnc2[nH]c(=O)cnc2c1=O
InChI: InChI=1S/C7H6N4O2/c1-11-3-9-6-5(7(11)13)8-2-4(12)10-6/h2-3H,1H3,(H,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.19 | IUPAC digitized pKa | 0 » -1 |
| 6.19 | Datawarrior | 0 » -1 |
| 6.19 | OCHEM | 0 » -1 |