Molecule ID: mol12980
SMILES: Cc1cc(O)nc(=O)n1C
InChI: InChI=1S/C6H8N2O2/c1-4-3-5(9)7-6(10)8(4)2/h3H,1-2H3,(H,7,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.06 | Datawarrior | 0 » -1 |
| 10.06 | OCHEM | 0 » -1 |
| 10.06 | AttenGpKa training set | 0 » -1 |