Molecule ID: mol223
SMILES: CC(=O)CCCN(C)C
InChI: InChI=1S/C7H15NO/c1-7(9)5-4-6-8(2)3/h4-6H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.07 | IUPAC digitized pKa | 1 » 0 |
| 9.07 | OCHEM | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |
| 9.10 | OCHEM | 1 » 0 |
| 9.10 | Hunt | 1 » 0 |
| 9.10 | AvLiLuMoVe | 1 » 0 |
| 9.10 | Settimo | 1 » 0 |
| 9.10 | AttenGpKa training set | 1 » 0 |
| 9.70 | QSARToolbox | 1 » 0 |