Molecule ID: mol6508
SMILES: OCCCc1ccncc1
InChI: InChI=1S/C8H11NO/c10-7-1-2-8-3-5-9-6-4-8/h3-6,10H,1-2,7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.84 | IUPAC digitized pKa | 1 » 0 |
| 5.84 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.84 | OCHEM | 1 » 0 |
| 5.84 | OCHEM | 1 » 0 |
| 5.84 | OCHEM | 1 » 0 |
| 5.84 | QSARToolbox | 1 » 0 |
| 5.90 | Datawarrior | 1 » 0 |
| 5.90 | QSARToolbox | 1 » 0 |
| 5.90 | OCHEM | 1 » 0 |