Molecule ID: mol1163
SMILES: CCN(CC)Cc1ccccc1
InChI: InChI=1S/C11H17N/c1-3-12(4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.44 | QSARToolbox | 1 » 0 |
| 9.44 | QSARToolbox | 1 » 0 |
| 9.44 | OCHEM | 1 » 0 |
| 9.44 | IUPAC digitized pKa | 1 » 0 |
| 9.44 | Datawarrior | 1 » 0 |
| 9.44 | OCHEM | 1 » 0 |
| 9.44 | Hunt | 1 » 0 |
| 9.44 | OCHEM | 1 » 0 |
| 9.46 | AttenGpKa training set | 1 » 0 |
| 9.48 | OCHEM | 1 » 0 |
| 9.48 | OCHEM | 1 » 0 |
| 9.60 | QSARToolbox | 1 » 0 |