Molecule ID: mol2068
SMILES: CCN(CC)c1ccccc1
InChI: InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.52 | QSARToolbox | 1 » 0 |
| 6.52 | IUPAC digitized pKa | 1 » 0 |
| 6.56 | OCHEM | 1 » 0 |
| 6.56 | OCHEM | 1 » 0 |
| 6.57 | IUPAC digitized pKa | 1 » 0 |
| 6.57 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 6.57 | OCHEM | 1 » 0 |
| 6.57 | QSARToolbox | 1 » 0 |
| 6.60 | OCHEM | 1 » 0 |
| 6.60 | Datawarrior | 1 » 0 |
| 6.61 | OCHEM | 1 » 0 |
| 6.61 | Hunt | 1 » 0 |
| 6.61 | QSARToolbox | 1 » 0 |
| 6.61 | QSARToolbox | 1 » 0 |
| 6.72 | AttenGpKa training set | 1 » 0 |