Molecule ID: mol14612
SMILES: NCCCCCCC#CC#CCCC(=O)O
InChI: InChI=1S/C13H19NO2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h2,4,6,8-12,14H2,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.21 | Datawarrior | 1 » 0 |
| 4.21 | OCHEM | 1 » 0 |
| 4.21 | QSARToolbox | 1 » 0 |
| 10.74 | QSARToolbox | 0 » -1 |
| 10.74 | Datawarrior | 0 » -1 |
| 10.74 | OCHEM | 0 » -1 |