Molecule ID: mol12696
SMILES: CC(=NO)c1ccc(O)cc1O
InChI: InChI=1S/C8H9NO3/c1-5(9-12)7-3-2-6(10)4-8(7)11/h2-4,10-12H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.35 | Datawarrior | 0 » -1 |
| 8.35 | QSARToolbox | 0 » -1 |
| 9.03 | OCHEM | 0 » -1 |
| 9.72 | Datawarrior | -1 » -2 |