Molecule ID: mol14191
SMILES: CCC(C)Nc1ccccc1
InChI: InChI=1S/C10H15N/c1-3-9(2)11-10-7-5-4-6-8-10/h4-9,11H,3H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.22 | QSARToolbox | 1 » 0 |
| 5.24 | AttenGpKa training set | 1 » 0 |
| 5.47 | OCHEM | 1 » 0 |
| 5.47 | Datawarrior | 1 » 0 |
| 8.78 | QSARToolbox | 1 » 0 |