Molecule ID: mol13124
SMILES: CCCCCCC(=O)NO
InChI: InChI=1S/C7H15NO2/c1-2-3-4-5-6-7(9)8-10/h10H,2-6H2,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.62 | OCHEM | 0 » -1 |
| 9.62 | Datawarrior | 0 » -1 |
| 9.68 | QSARToolbox | 0 » -1 |
| 11.02 | QSARToolbox | 0 » -1 |