Molecule ID: mol8149
SMILES: Cn1c(=O)nc(O)c2ncc(O)nc21
InChI: InChI=1S/C7H6N4O3/c1-11-5-4(6(13)10-7(11)14)8-2-3(12)9-5/h2H,1H3,(H,9,12)(H,10,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.31 | IUPAC digitized pKa | 0 » -1 |
| 10.51 | IUPAC digitized pKa | 1 » 0 |