Molecule ID: mol11410
SMILES: COc1ccc(O)c(CN(C)C)c1
InChI: InChI=1S/C10H15NO2/c1-11(2)7-8-6-9(13-3)4-5-10(8)12/h4-6,12H,7H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.62 | QSARToolbox | 1 » 0 |
| 8.62 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | OCHEM | 1 » 0 |
| 8.70 | Datawarrior | 1 » 0 |
| 8.71 | AttenGpKa training set | 1 » 0 |
| 11.46 | AttenGpKa training set | 0 » -1 |
| 11.48 | Datawarrior | 0 » -1 |
| 11.48 | OCHEM | 0 » -1 |