Molecule ID: mol13423
SMILES: Oc1ccccc1CN1CCOCC1
InChI: InChI=1S/C11H15NO2/c13-11-4-2-1-3-10(11)9-12-5-7-14-8-6-12/h1-4,13H,5-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.85 | AttenGpKa training set | 1 » 0 |
| 6.86 | QSARToolbox | 1 » 0 |
| 7.71 | Datawarrior | 1 » 0 |
| 7.71 | OCHEM | 1 » 0 |
| 10.27 | Datawarrior | 0 » -1 |
| 10.27 | OCHEM | 0 » -1 |
| 10.27 | QSARToolbox | 0 » -1 |
| 10.28 | QSARToolbox | 0 » -1 |
| 10.30 | QSARToolbox | 0 » -1 |