Molecule ID: mol186
SMILES: C1COCCN1
InChI: InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.30 | QSARToolbox | 1 » 0 |
| 5.61 | QSARToolbox | 1 » 0 |
| 6.17 | QSARToolbox | 1 » 0 |
| 7.87 | QSARToolbox | 1 » 0 |
| 7.96 | IUPAC digitized pKa | 1 » 0 |
| 8.06 | IUPAC digitized pKa | 1 » 0 |
| 8.16 | IUPAC digitized pKa | 1 » 0 |
| 8.17 | QSARToolbox | 1 » 0 |
| 8.27 | IUPAC digitized pKa | 1 » 0 |
| 8.30 | QSARToolbox | 1 » 0 |
| 8.32 | OCHEM | 1 » 0 |
| 8.33 | QSARToolbox | 1 » 0 |
| 8.33 | IUPAC digitized pKa | 1 » 0 |
| 8.33 | Baltruschat ChEMBL | 1 » 0 |
| 8.34 | QSARToolbox | 1 » 0 |
| 8.36 | QSARToolbox | 1 » 0 |
| 8.36 | QSARToolbox | 1 » 0 |
| 8.38 | IUPAC digitized pKa | 1 » 0 |
| 8.39 | IUPAC digitized pKa | 1 » 0 |
| 8.40 | QSARToolbox | 1 » 0 |
| 8.40 | Baltruschat ChEMBL | 1 » 0 |
| 8.43 | AttenGpKa training set | 1 » 0 |
| 8.44 | QSARToolbox | 1 » 0 |
| 8.45 | QSARToolbox | 1 » 0 |
| 8.47 | QSARToolbox | 1 » 0 |
| 8.48 | QSARToolbox | 1 » 0 |
| 8.49 | QSARToolbox | 1 » 0 |
| 8.49 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.49 | OCHEM | 1 » 0 |
| 8.49 | OCHEM | 1 » 0 |
| 8.49 | Baltruschat ChEMBL | 1 » 0 |
| 8.49 | IUPAC digitized pKa | 1 » 0 |
| 8.49 | OCHEM | 1 » 0 |
| 8.49 | OCHEM | 1 » 0 |
| 8.50 | OCHEM | 1 » 0 |
| 8.50 | OCHEM | 1 » 0 |
| 8.50 | Hunt | 1 » 0 |
| 8.50 | QSARToolbox | 1 » 0 |
| 8.50 | QSARToolbox | 1 » 0 |
| 8.50 | Settimo | 1 » 0 |
| 8.60 | QSARToolbox | 1 » 0 |
| 8.61 | IUPAC digitized pKa | 1 » 0 |
| 8.62 | QSARToolbox | 1 » 0 |
| 8.70 | QSARToolbox | 1 » 0 |
| 8.70 | QSARToolbox | 1 » 0 |
| 8.71 | Datawarrior | 1 » 0 |
| 8.71 | OCHEM | 1 » 0 |
| 8.72 | QSARToolbox | 1 » 0 |
| 8.73 | IUPAC digitized pKa | 1 » 0 |
| 8.74 | QSARToolbox | 1 » 0 |
| 8.78 | QSARToolbox | 1 » 0 |
| 8.78 | QSARToolbox | 1 » 0 |
| 8.78 | QSARToolbox | 1 » 0 |
| 8.78 | QSARToolbox | 1 » 0 |
| 8.78 | QSARToolbox | 1 » 0 |
| 8.78 | QSARToolbox | 1 » 0 |
| 8.85 | IUPAC digitized pKa | 1 » 0 |
| 8.90 | QSARToolbox | 1 » 0 |
| 8.90 | QSARToolbox | 1 » 0 |
| 8.98 | IUPAC digitized pKa | 1 » 0 |
| 9.11 | IUPAC digitized pKa | 1 » 0 |
| 9.28 | QSARToolbox | 1 » 0 |
| 11.90 | QSARToolbox | 1 » 0 |