Molecule ID: mol988
SMILES: CCCCNc1ccccc1
InChI: InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.24 | QSARToolbox | 1 » 0 |
| 4.91 | QSARToolbox | 1 » 0 |
| 4.95 | QSARToolbox | 1 » 0 |
| 4.95 | QSARToolbox | 1 » 0 |
| 5.04 | OCHEM | 1 » 0 |
| 5.11 | Datawarrior | 1 » 0 |
| 5.11 | OCHEM | 1 » 0 |
| 5.12 | QSARToolbox | 1 » 0 |
| 5.12 | QSARToolbox | 1 » 0 |
| 5.12 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.12 | OCHEM | 1 » 0 |
| 5.12 | Hunt | 1 » 0 |
| 5.44 | IUPAC digitized pKa | 1 » 0 |
| 5.44 | QSARToolbox | 1 » 0 |