Molecule ID: mol4873
SMILES: Cn1c(O)nc2nc(O)ncc21
InChI: InChI=1S/C6H6N4O2/c1-10-3-2-7-5(11)8-4(3)9-6(10)12/h2H,1H3,(H2,7,8,9,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.00 | IUPAC digitized pKa | 2 » 1 |
| 7.70 | IUPAC digitized pKa | 0 » -1 |
| 12.00 | IUPAC digitized pKa | -1 » -2 |