Molecule ID: mol11407
SMILES: Cc1cccc(CN(C)C)c1O
InChI: InChI=1S/C10H15NO/c1-8-5-4-6-9(10(8)12)7-11(2)3/h4-6,12H,7H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.07 | QSARToolbox | 1 » 0 |
| 8.18 | Datawarrior | 1 » 0 |
| 8.18 | OCHEM | 1 » 0 |
| 8.30 | IUPAC digitized pKa | 1 » 0 |
| 8.30 | AttenGpKa training set | 1 » 0 |
| 8.30 | QSARToolbox | 1 » 0 |
| 11.10 | Datawarrior | 0 » -1 |
| 11.10 | OCHEM | 0 » -1 |
| 11.10 | QSARToolbox | 0 » -1 |