Molecule ID: mol212
SMILES: CC(=O)CCN(C)C
InChI: InChI=1S/C6H13NO/c1-6(8)4-5-7(2)3/h4-5H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.37 | QSARToolbox | 1 » 0 |
| 8.37 | IUPAC digitized pKa | 1 » 0 |
| 8.37 | OCHEM | 1 » 0 |
| 8.40 | OCHEM | 1 » 0 |
| 8.40 | OCHEM | 1 » 0 |
| 8.40 | Hunt | 1 » 0 |
| 8.40 | Settimo | 1 » 0 |
| 8.65 | AttenGpKa training set | 1 » 0 |
| 8.95 | OCHEM | 1 » 0 |
| 8.95 | Datawarrior | 1 » 0 |