Molecule ID: mol5379
SMILES: CC(C)NCC(=O)O
InChI: InChI=1S/C5H11NO2/c1-4(2)6-3-5(7)8/h4,6H,3H2,1-2H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.35 | OCHEM | 1 » 0 |
| 2.35 | QSARToolbox | 1 » 0 |
| 2.35 | QSARToolbox | 1 » 0 |
| 2.35 | Datawarrior | 1 » 0 |
| 2.36 | IUPAC digitized pKa | 1 » 0 |
| 2.36 | AttenGpKa training set | 1 » 0 |
| 10.06 | IUPAC digitized pKa | 0 » -1 |
| 10.06 | Datawarrior | 0 » -1 |
| 10.06 | OCHEM | 0 » -1 |
| 10.06 | AttenGpKa training set | 0 » -1 |