Molecule ID: mol869
SMILES: OCCN(CCO)CCO
InChI: InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.35 | QSARToolbox | 1 » 0 |
| 6.35 | QSARToolbox | 1 » 0 |
| 7.34 | QSARToolbox | 1 » 0 |
| 7.34 | QSARToolbox | 1 » 0 |
| 7.67 | OCHEM | 1 » 0 |
| 7.68 | QSARToolbox | 1 » 0 |
| 7.68 | QSARToolbox | 1 » 0 |
| 7.76 | Datawarrior | 1 » 0 |
| 7.76 | OCHEM | 1 » 0 |
| 7.76 | OCHEM | 1 » 0 |
| 7.76 | Baltruschat ChEMBL | 1 » 0 |
| 7.76 | OCHEM | 1 » 0 |
| 7.76 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 7.76 | OCHEM | 1 » 0 |
| 7.76 | Hunt | 1 » 0 |
| 7.77 | QSARToolbox | 1 » 0 |
| 7.77 | QSARToolbox | 1 » 0 |
| 7.77 | AttenGpKa training set | 1 » 0 |
| 7.82 | QSARToolbox | 1 » 0 |
| 7.82 | QSARToolbox | 1 » 0 |
| 7.85 | QSARToolbox | 1 » 0 |
| 7.87 | QSARToolbox | 1 » 0 |
| 7.87 | QSARToolbox | 1 » 0 |
| 7.88 | QSARToolbox | 1 » 0 |
| 7.88 | QSARToolbox | 1 » 0 |
| 9.00 | QSARToolbox | 1 » 0 |