Molecule ID: mol5369
SMILES: CCN(CC)CC(=O)O
InChI: InChI=1S/C6H13NO2/c1-3-7(4-2)5-6(8)9/h3-5H2,1-2H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.97 | IUPAC digitized pKa | 1 » 0 |
| 1.98 | Datawarrior | 1 » 0 |
| 1.98 | OCHEM | 1 » 0 |
| 2.04 | QSARToolbox | 1 » 0 |
| 2.04 | QSARToolbox | 1 » 0 |
| 2.04 | IUPAC digitized pKa | 1 » 0 |
| 2.04 | IUPAC digitized pKa | 1 » 0 |
| 2.04 | AttenGpKa training set | 1 » 0 |
| 10.47 | IUPAC digitized pKa | 0 » -1 |
| 10.47 | IUPAC digitized pKa | 0 » -1 |
| 10.47 | AttenGpKa training set | 0 » -1 |
| 10.47 | QSARToolbox | 0 » -1 |
| 10.50 | Datawarrior | 0 » -1 |
| 10.50 | OCHEM | 0 » -1 |
| 10.51 | IUPAC digitized pKa | 0 » -1 |