Molecule ID: mol14321
SMILES: CCN(CC)Cc1cc(OC)ccc1O
InChI: InChI=1S/C12H19NO2/c1-4-13(5-2)9-10-8-11(15-3)6-7-12(10)14/h6-8,14H,4-5,9H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.33 | AttenGpKa training set | 1 » 0 |
| 8.44 | QSARToolbox | 1 » 0 |
| 8.62 | OCHEM | 1 » 0 |
| 8.62 | Datawarrior | 1 » 0 |
| 10.49 | QSARToolbox | 1 » 0 |
| 10.86 | Datawarrior | 1 » 0 |
| 10.86 | OCHEM | 1 » 0 |
| 11.15 | QSARToolbox | 1 » 0 |