Molecule ID: mol12617
SMILES: CN(C)c1ccc(/C=N/O)cc1
InChI: InChI=1S/C9H12N2O/c1-11(2)9-5-3-8(4-6-9)7-10-12/h3-7,12H,1-2H3/b10-7+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.34 | Datawarrior | 0 » -1 |
| 11.38 | AttenGpKa training set | 0 » -1 |
| 11.42 | QSARToolbox | 0 » -1 |
| 11.56 | QSARToolbox | 0 » -1 |