Molecule ID: mol852
SMILES: CCN(CC)CCC(C)=O
InChI: InChI=1S/C8H17NO/c1-4-9(5-2)7-6-8(3)10/h4-7H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.04 | IUPAC digitized pKa | 1 » 0 |
| 9.04 | OCHEM | 1 » 0 |
| 9.04 | Hunt | 1 » 0 |
| 9.04 | OCHEM | 1 » 0 |
| 9.25 | Datawarrior | 1 » 0 |
| 9.25 | OCHEM | 1 » 0 |
| 9.40 | QSARToolbox | 1 » 0 |