Molecule ID: mol8139
SMILES: Cc1nc2c(O)nc(=O)n(C)c2nc1O
InChI: InChI=1S/C8H8N4O3/c1-3-6(13)10-5-4(9-3)7(14)11-8(15)12(5)2/h1-2H3,(H,10,13)(H,11,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.74 | QSARToolbox | 0 » -1 |
| 10.63 | QSARToolbox | 1 » 0 |