Molecule ID: mol14285
SMILES: NCCCCCC#CC#CCCC(=O)O
InChI: InChI=1S/C12H17NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h3,5,7-11,13H2,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.17 | Datawarrior | 1 » 0 |
| 4.17 | QSARToolbox | 1 » 0 |
| 4.17 | OCHEM | 1 » 0 |
| 10.70 | QSARToolbox | 0 » -1 |
| 10.70 | Datawarrior | 0 » -1 |
| 10.70 | OCHEM | 0 » -1 |