Molecule ID: mol13940
SMILES: CCN(CC)Cc1ccccc1O
InChI: InChI=1S/C11H17NO/c1-3-12(4-2)9-10-7-5-6-8-11(10)13/h5-8,13H,3-4,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.37 | QSARToolbox | 1 » 0 |
| 8.37 | AttenGpKa training set | 1 » 0 |
| 8.81 | Datawarrior | 1 » 0 |
| 8.81 | OCHEM | 1 » 0 |
| 10.40 | QSARToolbox | 1 » 0 |
| 10.42 | QSARToolbox | 1 » 0 |
| 10.82 | Datawarrior | 1 » 0 |
| 10.82 | OCHEM | 1 » 0 |
| 11.20 | QSARToolbox | 1 » 0 |
| 11.27 | QSARToolbox | 1 » 0 |