Molecule ID: mol13514
SMILES: CCNCCCC(=O)O
InChI: InChI=1S/C6H13NO2/c1-2-7-5-3-4-6(8)9/h7H,2-5H2,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.92 | Datawarrior | 1 » 0 |
| 3.92 | QSARToolbox | 1 » 0 |
| 3.92 | QSARToolbox | 1 » 0 |
| 3.92 | OCHEM | 1 » 0 |
| 11.03 | Datawarrior | 0 » -1 |
| 11.03 | OCHEM | 0 » -1 |