Molecule ID: mol12492
SMILES: CCCC(N)C(=O)O
InChI: InChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.31 | OCHEM | 1 » 0 |
| 2.32 | QSARToolbox | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 9.80 | OCHEM | 0 » -1 |
| 9.86 | OCHEM | 0 » -1 |
| 9.86 | Datawarrior | 0 » -1 |