Molecule ID: mol11411
SMILES: COc1cccc(CN(C)C)c1O
InChI: InChI=1S/C10H15NO2/c1-11(2)7-8-5-4-6-9(13-3)10(8)12/h4-6,12H,7H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.42 | IUPAC digitized pKa | 1 » 0 |
| 8.42 | Datawarrior | 1 » 0 |
| 8.42 | AttenGpKa training set | 1 » 0 |
| 8.42 | QSARToolbox | 1 » 0 |
| 8.42 | OCHEM | 1 » 0 |