Molecule ID: mol12493
SMILES: CNCCCC(=O)O
InChI: InChI=1S/C5H11NO2/c1-6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.03 | Datawarrior | 1 » 0 |
| 4.03 | AttenGpKa training set | 1 » 0 |
| 4.03 | OCHEM | 1 » 0 |
| 4.03 | QSARToolbox | 1 » 0 |
| 4.03 | QSARToolbox | 1 » 0 |
| 10.78 | Datawarrior | 0 » -1 |
| 10.78 | OCHEM | 0 » -1 |
| 10.78 | AttenGpKa training set | 0 » -1 |