Molecule ID: mol6496
SMILES: OCCc1ccccn1
InChI: InChI=1S/C7H9NO/c9-6-4-7-3-1-2-5-8-7/h1-3,5,9H,4,6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.31 | QSARToolbox | 1 » 0 |
| 5.31 | IUPAC digitized pKa | 1 » 0 |
| 5.31 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.31 | OCHEM | 1 » 0 |
| 5.31 | OCHEM | 1 » 0 |
| 5.37 | QSARToolbox | 1 » 0 |
| 5.37 | OCHEM | 1 » 0 |
| 5.37 | Datawarrior | 1 » 0 |