Molecule ID: mol6507
SMILES: OCCCc1cccnc1
InChI: InChI=1S/C8H11NO/c10-6-2-4-8-3-1-5-9-7-8/h1,3,5,7,10H,2,4,6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.47 | QSARToolbox | 1 » 0 |
| 5.47 | IUPAC digitized pKa | 1 » 0 |
| 5.47 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.47 | OCHEM | 1 » 0 |
| 5.47 | OCHEM | 1 » 0 |
| 5.47 | OCHEM | 1 » 0 |
| 5.57 | Datawarrior | 1 » 0 |
| 5.57 | QSARToolbox | 1 » 0 |
| 5.57 | OCHEM | 1 » 0 |