Molecule ID: mol22222
SMILES: C[N+](C)(C)CC(=O)O
InChI: InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.78 | AttenGpKa training set | 1 » 0 |
| 1.99 | OCHEM | 1 » 0 |
| 1.99 | QSARToolbox | 1 » 0 |
| 2.38 | QSARToolbox | 1 » 0 |
| 2.81 | QSARToolbox | 1 » 0 |