Molecule ID: mol10976
SMILES: Cn1c(=O)c2nc(C(=O)O)c(=O)[nH]c2n(C)c1=O
InChI: InChI=1S/C9H8N4O5/c1-12-5-3(7(15)13(2)9(12)18)10-4(8(16)17)6(14)11-5/h1-2H3,(H,11,14)(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | QSARToolbox | 0 » -1 |
| 2.10 | IUPAC digitized pKa | 0 » -1 |
| 6.30 | IUPAC digitized pKa | -1 » -2 |