Molecule ID: mol13335
SMILES: NCCCCC#CC#CCCC(=O)O
InChI: InChI=1S/C11H15NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h4,6-10,12H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.15 | Datawarrior | 1 » 0 |
| 4.15 | OCHEM | 1 » 0 |
| 10.53 | QSARToolbox | 0 » -1 |
| 10.53 | Datawarrior | 0 » -1 |
| 10.53 | OCHEM | 0 » -1 |