Molecule ID: mol6497
SMILES: OCCc1ccncc1
InChI: InChI=1S/C7H9NO/c9-6-3-7-1-4-8-5-2-7/h1-2,4-5,9H,3,6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.60 | QSARToolbox | 1 » 0 |
| 5.60 | IUPAC digitized pKa | 1 » 0 |
| 5.60 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.60 | OCHEM | 1 » 0 |
| 5.60 | OCHEM | 1 » 0 |
| 5.60 | OCHEM | 1 » 0 |
| 5.68 | OCHEM | 1 » 0 |
| 5.68 | QSARToolbox | 1 » 0 |
| 5.68 | Datawarrior | 1 » 0 |