Molecule ID: mol1822
SMILES: CCN(CC)CCO
InChI: InChI=1S/C6H15NO/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.71 | QSARToolbox | 1 » 0 |
| 9.03 | IUPAC digitized pKa | 1 » 0 |
| 9.24 | IUPAC digitized pKa | 1 » 0 |
| 9.30 | QSARToolbox | 1 » 0 |
| 9.46 | IUPAC digitized pKa | 1 » 0 |
| 9.60 | IUPAC digitized pKa | 1 » 0 |
| 9.69 | IUPAC digitized pKa | 1 » 0 |
| 9.69 | QSARToolbox | 1 » 0 |
| 9.75 | IUPAC digitized pKa | 1 » 0 |
| 9.75 | QSARToolbox | 1 » 0 |
| 9.78 | OCHEM | 1 » 0 |
| 9.82 | IUPAC digitized pKa | 1 » 0 |
| 9.82 | AttenGpKa training set | 1 » 0 |
| 9.84 | Datawarrior | 1 » 0 |
| 9.84 | OCHEM | 1 » 0 |
| 9.86 | QSARToolbox | 1 » 0 |
| 9.87 | QSARToolbox | 1 » 0 |
| 9.87 | IUPAC digitized pKa | 1 » 0 |
| 9.87 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 9.87 | OCHEM | 1 » 0 |
| 9.87 | Hunt | 1 » 0 |
| 9.93 | IUPAC digitized pKa | 1 » 0 |
| 10.10 | QSARToolbox | 1 » 0 |
| 10.18 | IUPAC digitized pKa | 1 » 0 |
| 10.44 | IUPAC digitized pKa | 1 » 0 |