Molecule ID: mol13131
SMILES: CCCCNCCC(=O)O
InChI: InChI=1S/C7H15NO2/c1-2-3-5-8-6-4-7(9)10/h8H,2-6H2,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.57 | OCHEM | 1 » 0 |
| 3.57 | Datawarrior | 1 » 0 |
| 10.60 | Datawarrior | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | QSARToolbox | 0 » -1 |