Molecule ID: mol6506
SMILES: OCCCc1ccccn1
InChI: InChI=1S/C8H11NO/c10-7-3-5-8-4-1-2-6-9-8/h1-2,4,6,10H,3,5,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.61 | IUPAC digitized pKa | 1 » 0 |
| 5.61 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.61 | OCHEM | 1 » 0 |
| 5.61 | OCHEM | 1 » 0 |
| 5.61 | OCHEM | 1 » 0 |
| 5.61 | QSARToolbox | 1 » 0 |
| 5.71 | Datawarrior | 1 » 0 |
| 5.71 | OCHEM | 1 » 0 |
| 5.71 | QSARToolbox | 1 » 0 |