Molecule ID: mol1322
SMILES: C=CCN1CCOCC1
InChI: InChI=1S/C7H13NO/c1-2-3-8-4-6-9-7-5-8/h2H,1,3-7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.02 | IUPAC digitized pKa | 1 » 0 |
| 7.02 | OCHEM | 1 » 0 |
| 7.02 | Hunt | 1 » 0 |
| 7.02 | OCHEM | 1 » 0 |
| 7.05 | Datawarrior | 1 » 0 |
| 7.05 | QSARToolbox | 1 » 0 |
| 7.05 | OCHEM | 1 » 0 |
| 7.20 | QSARToolbox | 1 » 0 |
| 7.23 | AttenGpKa training set | 1 » 0 |