Molecule ID: mol12788
SMILES: Cc1ccc2[nH]c(CO)nc2c1
InChI: InChI=1S/C9H10N2O/c1-6-2-3-7-8(4-6)11-9(5-12)10-7/h2-4,12H,5H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.64 | OCHEM | 1 » 0 |
| 5.64 | Datawarrior | 1 » 0 |
| 11.50 | Datawarrior | 0 » -1 |
| 11.50 | OCHEM | 0 » -1 |
| 11.50 | QSARToolbox | 0 » -1 |