Molecule ID: mol13801
SMILES: Oc1ccccc1CN1CCCC1
InChI: InChI=1S/C11H15NO/c13-11-6-2-1-5-10(11)9-12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.55 | QSARToolbox | 1 » 0 |
| 8.81 | Datawarrior | 1 » 0 |
| 8.81 | OCHEM | 1 » 0 |
| 10.60 | QSARToolbox | 0 » -1 |
| 10.83 | Datawarrior | 0 » -1 |
| 10.83 | OCHEM | 0 » -1 |
| 11.10 | QSARToolbox | 0 » -1 |