Molecule ID: mol9649
SMILES: Nc1nc(=O)c2[nH]c(=O)c(=O)[nH]c2[nH]1
InChI: InChI=1S/C6H5N5O3/c7-6-10-2-1(3(12)11-6)8-4(13)5(14)9-2/h(H,8,13)(H4,7,9,10,11,12,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.60 | IUPAC digitized pKa | 0 » -1 |
| 9.78 | IUPAC digitized pKa | -1 » -2 |
| 13.60 | IUPAC digitized pKa | -2 » -3 |