Molecule ID: mol5378
SMILES: CC(C)CNCC(=O)O
InChI: InChI=1S/C6H13NO2/c1-5(2)3-7-4-6(8)9/h5,7H,3-4H2,1-2H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.12 | QSARToolbox | 1 » 0 |
| 2.35 | OCHEM | 1 » 0 |
| 2.35 | QSARToolbox | 1 » 0 |
| 2.35 | QSARToolbox | 1 » 0 |
| 2.35 | QSARToolbox | 1 » 0 |
| 2.35 | QSARToolbox | 1 » 0 |
| 2.35 | IUPAC digitized pKa | 1 » 0 |
| 2.35 | Datawarrior | 1 » 0 |
| 2.35 | OCHEM | 1 » 0 |
| 2.35 | AttenGpKa training set | 1 » 0 |
| 10.12 | IUPAC digitized pKa | 0 » -1 |
| 10.12 | Datawarrior | 0 » -1 |
| 10.12 | OCHEM | 0 » -1 |
| 10.12 | OCHEM | 0 » -1 |