Molecule ID: mol229
SMILES: CC(=O)CCCCN(C)C
InChI: InChI=1S/C8H17NO/c1-8(10)6-4-5-7-9(2)3/h4-7H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.60 | OCHEM | 1 » 0 |
| 9.60 | OCHEM | 1 » 0 |
| 9.60 | Hunt | 1 » 0 |
| 9.60 | Settimo | 1 » 0 |
| 9.61 | AttenGpKa training set | 1 » 0 |
| 9.62 | QSARToolbox | 1 » 0 |
| 9.62 | IUPAC digitized pKa | 1 » 0 |
| 9.62 | OCHEM | 1 » 0 |
| 9.66 | OCHEM | 1 » 0 |
| 9.66 | Datawarrior | 1 » 0 |