Molecule ID: mol11406
SMILES: Cc1ccc(O)c(CN(C)C)c1
InChI: InChI=1S/C10H15NO/c1-8-4-5-10(12)9(6-8)7-11(2)3/h4-6,12H,7H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.65 | QSARToolbox | 1 » 0 |
| 8.68 | Datawarrior | 1 » 0 |
| 8.68 | OCHEM | 1 » 0 |
| 8.70 | QSARToolbox | 1 » 0 |
| 8.70 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | AttenGpKa training set | 1 » 0 |
| 11.22 | Datawarrior | 0 » -1 |
| 11.22 | OCHEM | 0 » -1 |
| 11.49 | AttenGpKa training set | 0 » -1 |