Molecule ID: mol4840
SMILES: Cn1c(=O)c2ncc(O)nc2n(C)c1=O
InChI: InChI=1S/C8H8N4O3/c1-11-6-5(9-3-4(13)10-6)7(14)12(2)8(11)15/h3H,1-2H3,(H,10,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -2.20 | IUPAC digitized pKa | 1 » 0 |
| 3.47 | IUPAC digitized pKa | 0 » -1 |