Molecule ID: mol5348
SMILES: CCOC(=O)CCN(C)C
InChI: InChI=1S/C7H15NO2/c1-4-10-7(9)5-6-8(2)3/h4-6H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.29 | AttenGpKa training set | 1 » 0 |
| 8.54 | IUPAC digitized pKa | 1 » 0 |
| 8.60 | Datawarrior | 1 » 0 |
| 8.60 | QSARToolbox | 1 » 0 |
| 8.60 | OCHEM | 1 » 0 |