Molecule ID: mol15764
SMILES: Oc1ccc(F)cc1CN1CCOCC1
InChI: InChI=1S/C11H14FNO2/c12-10-1-2-11(14)9(7-10)8-13-3-5-15-6-4-13/h1-2,7,14H,3-6,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.69 | AttenGpKa training set | 1 » 0 |
| 6.78 | Datawarrior | 1 » 0 |
| 6.78 | OCHEM | 1 » 0 |
| 6.78 | QSARToolbox | 1 » 0 |
| 6.78 | QSARToolbox | 1 » 0 |
| 10.52 | Datawarrior | 0 » -1 |
| 10.52 | OCHEM | 0 » -1 |
| 10.52 | QSARToolbox | 0 » -1 |