Molecule ID: mol15782
SMILES: Oc1ccc(F)cc1CN1CCCCC1
InChI: InChI=1S/C12H16FNO/c13-11-4-5-12(15)10(8-11)9-14-6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.81 | Datawarrior | 1 » 0 |
| 8.81 | OCHEM | 1 » 0 |
| 11.31 | Datawarrior | 0 » -1 |
| 11.31 | OCHEM | 0 » -1 |
| 11.31 | QSARToolbox | 0 » -1 |