Molecule ID: mol12491
SMILES: CNC(C)(C)C(=O)O
InChI: InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | Datawarrior | 1 » 0 |
| 2.20 | OCHEM | 1 » 0 |
| 2.20 | AttenGpKa training set | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 10.75 | Datawarrior | 0 » -1 |
| 10.75 | OCHEM | 0 » -1 |
| 10.75 | AttenGpKa training set | 0 » -1 |