Molecule ID: mol13700
SMILES: NCCCC#CC#CCCC(=O)O
InChI: InChI=1S/C10H13NO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h5-9,11H2,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.12 | QSARToolbox | 1 » 0 |
| 4.12 | OCHEM | 1 » 0 |
| 4.12 | Datawarrior | 1 » 0 |
| 9.27 | QSARToolbox | 0 » -1 |
| 9.94 | OCHEM | 0 » -1 |
| 9.94 | Datawarrior | 0 » -1 |