Molecule ID: mol8151
SMILES: Cn1c(=O)cnc2c(O)nc(O)nc21
InChI: InChI=1S/C7H6N4O3/c1-11-3(12)2-8-4-5(11)9-7(14)10-6(4)13/h2H,1H3,(H2,9,10,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.62 | QSARToolbox | 0 » -1 |
| 3.80 | QSARToolbox | 0 » -1 |
| 11.70 | IUPAC digitized pKa | -1 » -2 |
| 12.98 | QSARToolbox | -1 » -2 |