Molecule ID: mol14075
SMILES: NCC#CC#CCCC(=O)O
InChI: InChI=1S/C8H9NO2/c9-7-5-3-1-2-4-6-8(10)11/h4,6-7,9H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.05 | Datawarrior | 1 » 0 |
| 4.05 | QSARToolbox | 1 » 0 |
| 4.05 | OCHEM | 1 » 0 |
| 8.26 | Datawarrior | 0 » -1 |
| 8.26 | OCHEM | 0 » -1 |
| 8.26 | QSARToolbox | 0 » -1 |