Molecule ID: mol13507
SMILES: CC(O)CNCC(C)O
InChI: InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | QSARToolbox | 1 » 0 |
| 8.21 | QSARToolbox | 1 » 0 |
| 8.50 | QSARToolbox | 1 » 0 |
| 8.88 | Datawarrior | 1 » 0 |
| 8.88 | OCHEM | 1 » 0 |
| 8.89 | AttenGpKa training set | 1 » 0 |
| 9.10 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |