Molecule ID: mol12485
SMILES: CC(C)C(N)C(=O)O
InChI: InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | QSARToolbox | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 2.27 | QSARToolbox | 1 » 0 |
| 2.29 | QSARToolbox | 1 » 0 |
| 2.29 | QSARToolbox | 1 » 0 |
| 2.29 | OCHEM | 1 » 0 |
| 2.31 | QSARToolbox | 1 » 0 |
| 2.31 | QSARToolbox | 1 » 0 |
| 2.32 | QSARToolbox | 1 » 0 |
| 2.32 | QSARToolbox | 1 » 0 |
| 2.32 | QSARToolbox | 1 » 0 |
| 2.32 | Datawarrior | 1 » 0 |
| 2.37 | OCHEM | 1 » 0 |
| 2.41 | Datawarrior | 1 » 0 |
| 9.14 | QSARToolbox | 0 » -1 |
| 9.14 | QSARToolbox | 0 » -1 |
| 9.15 | QSARToolbox | 0 » -1 |
| 9.15 | QSARToolbox | 0 » -1 |
| 9.25 | QSARToolbox | 0 » -1 |
| 9.25 | QSARToolbox | 0 » -1 |
| 9.46 | QSARToolbox | 0 » -1 |
| 9.46 | QSARToolbox | 0 » -1 |
| 9.58 | Datawarrior | 0 » -1 |
| 9.61 | QSARToolbox | 0 » -1 |
| 9.61 | QSARToolbox | 0 » -1 |
| 9.62 | OCHEM | 0 » -1 |
| 9.66 | Datawarrior | 0 » -1 |
| 9.70 | OCHEM | 0 » -1 |
| 9.72 | QSARToolbox | 0 » -1 |
| 9.72 | QSARToolbox | 0 » -1 |