Molecule ID: mol12888
SMILES: CCCCCCNCCC(=O)O
InChI: InChI=1S/C9H19NO2/c1-2-3-4-5-7-10-8-6-9(11)12/h10H,2-8H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.61 | OCHEM | 1 » 0 |
| 3.61 | Datawarrior | 1 » 0 |
| 10.60 | Datawarrior | 0 » -1 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | QSARToolbox | 0 » -1 |