Molecule ID: mol13284
SMILES: CCN(CC)Cc1cccc(C)c1O
InChI: InChI=1S/C12H19NO/c1-4-13(5-2)9-11-8-6-7-10(3)12(11)14/h6-8,14H,4-5,9H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.87 | QSARToolbox | 1 » 0 |
| 8.19 | Datawarrior | 1 » 0 |
| 8.65 | AttenGpKa training set | 1 » 0 |
| 10.02 | Datawarrior | 1 » 0 |
| 10.02 | OCHEM | 1 » 0 |
| 10.90 | QSARToolbox | 1 » 0 |
| 10.91 | Datawarrior | 1 » 0 |
| 10.91 | OCHEM | 1 » 0 |
| 10.94 | QSARToolbox | 1 » 0 |