Molecule ID: mol22208
SMILES: N#CCCCC(=O)O
InChI: InChI=1S/C5H7NO2/c6-4-2-1-3-5(7)8/h1-3H2,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.42 | QSARToolbox | 0 » -1 |
| 4.44 | OCHEM | 0 » -1 |
| 4.44 | OCHEM | 0 » -1 |
| 4.44 | OCHEM | 0 » -1 |
| 4.44 | AttenGpKa training set | 0 » -1 |
| 4.44 | QSARToolbox | 0 » -1 |
| 4.44 | QSARToolbox | 0 » -1 |