Molecule ID: mol13066
SMILES: CC(=NO)c1ccccc1
InChI: InChI=1S/C8H9NO/c1-7(9-10)8-5-3-2-4-6-8/h2-6,10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.35 | Datawarrior | 0 » -1 |
| 11.42 | OCHEM | 0 » -1 |
| 11.48 | QSARToolbox | 0 » -1 |
| 11.48 | QSARToolbox | 0 » -1 |
| 11.48 | Datawarrior | 0 » -1 |
| 11.50 | QSARToolbox | 0 » -1 |