Molecule ID: mol871
SMILES: CN(CCO)CCO
InChI: InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.87 | QSARToolbox | 1 » 0 |
| 7.87 | IUPAC digitized pKa | 1 » 0 |
| 7.99 | QSARToolbox | 1 » 0 |
| 8.13 | IUPAC digitized pKa | 1 » 0 |
| 8.13 | QSARToolbox | 1 » 0 |
| 8.30 | IUPAC digitized pKa | 1 » 0 |
| 8.31 | IUPAC digitized pKa | 1 » 0 |
| 8.31 | QSARToolbox | 1 » 0 |
| 8.31 | QSARToolbox | 1 » 0 |
| 8.51 | Datawarrior | 1 » 0 |
| 8.51 | OCHEM | 1 » 0 |
| 8.52 | IUPAC digitized pKa | 1 » 0 |
| 8.52 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.52 | OCHEM | 1 » 0 |
| 8.52 | Hunt | 1 » 0 |
| 8.52 | QSARToolbox | 1 » 0 |
| 8.52 | QSARToolbox | 1 » 0 |
| 8.52 | QSARToolbox | 1 » 0 |
| 8.54 | AttenGpKa training set | 1 » 0 |
| 8.55 | OCHEM | 1 » 0 |
| 8.57 | QSARToolbox | 1 » 0 |
| 8.57 | IUPAC digitized pKa | 1 » 0 |