Molecule ID: mol4874
SMILES: Cn1c(O)nc2cnc(O)nc21
InChI: InChI=1S/C6H6N4O2/c1-10-4-3(8-6(10)12)2-7-5(11)9-4/h2H,1H3,(H,8,12)(H,7,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.30 | IUPAC digitized pKa | 2 » 1 |
| 8.50 | IUPAC digitized pKa | 0 » -1 |
| 8.74 | OCHEM | 0 » -1 |
| 8.74 | IUPAC digitized pKa | 0 » -1 |
| 8.74 | Datawarrior | 0 » -1 |
| 11.50 | IUPAC digitized pKa | -1 » -2 |