Molecule ID: mol13289
SMILES: CCN(CC)Cc1cc(F)ccc1O
InChI: InChI=1S/C11H16FNO/c1-3-13(4-2)8-9-7-10(12)5-6-11(9)14/h5-7,14H,3-4,8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | QSARToolbox | 1 » 0 |
| 8.00 | AttenGpKa training set | 1 » 0 |
| 8.23 | OCHEM | 1 » 0 |
| 8.23 | Datawarrior | 1 » 0 |
| 8.25 | QSARToolbox | 1 » 0 |
| 10.54 | QSARToolbox | 0 » -1 |
| 10.84 | Datawarrior | 0 » -1 |
| 11.07 | QSARToolbox | 0 » -1 |