Molecule ID: mol12763
SMILES: Cc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1
InChI: InChI=1S/C6H6N4O2/c1-2-7-3-4(8-2)9-6(12)10-5(3)11/h1H3,(H3,7,8,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | OCHEM | 1 » 0 |
| 3.10 | QSARToolbox | 1 » 0 |
| 3.10 | QSARToolbox | 1 » 0 |
| 3.10 | Datawarrior | 1 » 0 |
| 9.70 | OCHEM | -1 » -2 |
| 9.70 | Datawarrior | -1 » -2 |