Molecule ID: mol196
SMILES: CN1CCOCC1
InChI: InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.06 | QSARToolbox | 1 » 0 |
| 6.92 | QSARToolbox | 1 » 0 |
| 7.13 | OCHEM | 1 » 0 |
| 7.13 | OCHEM | 1 » 0 |
| 7.15 | QSARToolbox | 1 » 0 |
| 7.28 | AttenGpKa training set | 1 » 0 |
| 7.38 | IUPAC digitized pKa | 1 » 0 |
| 7.38 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 7.38 | OCHEM | 1 » 0 |
| 7.38 | OCHEM | 1 » 0 |
| 7.38 | OCHEM | 1 » 0 |
| 7.38 | QSARToolbox | 1 » 0 |
| 7.38 | QSARToolbox | 1 » 0 |
| 7.40 | OCHEM | 1 » 0 |
| 7.40 | OCHEM | 1 » 0 |
| 7.40 | Hunt | 1 » 0 |
| 7.40 | Baltruschat ChEMBL | 1 » 0 |
| 7.40 | Settimo | 1 » 0 |
| 7.41 | QSARToolbox | 1 » 0 |
| 7.50 | QSARToolbox | 1 » 0 |
| 7.56 | QSARToolbox | 1 » 0 |
| 7.66 | OCHEM | 1 » 0 |
| 7.66 | Datawarrior | 1 » 0 |
| 7.80 | QSARToolbox | 1 » 0 |
| 8.07 | QSARToolbox | 1 » 0 |