Molecule ID: mol13285
SMILES: CCN(CC)Cc1ccccc1OC
InChI: InChI=1S/C12H19NO/c1-4-13(5-2)10-11-8-6-7-9-12(11)14-3/h6-9H,4-5,10H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.20 | QSARToolbox | 1 » 0 |
| 10.20 | Datawarrior | 1 » 0 |
| 10.20 | OCHEM | 1 » 0 |
| 10.20 | AttenGpKa training set | 1 » 0 |