Molecule ID: mol13512
SMILES: CCC(C)C(N)C(=O)O
InChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.26 | QSARToolbox | 1 » 0 |
| 2.26 | Datawarrior | 1 » 0 |
| 2.29 | OCHEM | 1 » 0 |
| 2.32 | QSARToolbox | 1 » 0 |
| 2.33 | OCHEM | 1 » 0 |
| 2.36 | QSARToolbox | 1 » 0 |
| 9.62 | Datawarrior | 0 » -1 |
| 9.69 | OCHEM | 0 » -1 |
| 9.76 | AttenGpKa training set | 0 » -1 |
| 9.80 | OCHEM | 0 » -1 |