Molecule ID: mol15984
SMILES: CNC(C)C(=O)O
InChI: InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.19 | QSARToolbox | 1 » 0 |
| 2.22 | Datawarrior | 1 » 0 |
| 2.22 | OCHEM | 1 » 0 |
| 2.22 | OCHEM | 1 » 0 |
| 2.22 | QSARToolbox | 1 » 0 |
| 2.22 | QSARToolbox | 1 » 0 |
| 2.22 | QSARToolbox | 1 » 0 |
| 2.22 | QSARToolbox | 1 » 0 |
| 10.19 | Datawarrior | 0 » -1 |
| 10.19 | OCHEM | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |