Molecule ID: mol5384
SMILES: CCCNCC(=O)O
InChI: InChI=1S/C5H11NO2/c1-2-3-6-4-5(7)8/h6H,2-4H2,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.19 | QSARToolbox | 1 » 0 |
| 2.28 | IUPAC digitized pKa | 1 » 0 |
| 2.28 | AttenGpKa training set | 1 » 0 |
| 2.31 | OCHEM | 1 » 0 |
| 2.31 | Datawarrior | 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 | OCHEM | 1 » 0 |
| 10.03 | IUPAC digitized pKa | 0 » -1 |
| 10.03 | Datawarrior | 0 » -1 |
| 10.03 | AttenGpKa training set | 0 » -1 |
| 10.11 | OCHEM | 0 » -1 |
| 10.19 | QSARToolbox | 0 » -1 |
| 10.19 | IUPAC digitized pKa | 0 » -1 |
| 10.19 | Datawarrior | 0 » -1 |
| 10.19 | OCHEM | 0 » -1 |