Molecule ID: mol15978
SMILES: N#CCCC(=O)O
InChI: InChI=1S/C4H5NO2/c5-3-1-2-4(6)7/h1-2H2,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.97 | QSARToolbox | 0 » -1 |
| 3.97 | QSARToolbox | 0 » -1 |
| 3.98 | Datawarrior | 0 » -1 |
| 3.98 | OCHEM | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 3.99 | AttenGpKa training set | 0 » -1 |
| 3.99 | QSARToolbox | 0 » -1 |
| 3.99 | QSARToolbox | 0 » -1 |