Molecule ID: mol5373
SMILES: CCNCC(=O)O
InChI: InChI=1S/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.23 | QSARToolbox | 1 » 0 |
| 2.30 | IUPAC digitized pKa | 1 » 0 |
| 2.30 | AttenGpKa training set | 1 » 0 |
| 2.31 | OCHEM | 1 » 0 |
| 2.31 | Datawarrior | 1 » 0 |
| 2.34 | QSARToolbox | 1 » 0 |
| 2.34 | QSARToolbox | 1 » 0 |
| 2.34 | QSARToolbox | 1 » 0 |
| 2.34 | QSARToolbox | 1 » 0 |
| 2.34 | IUPAC digitized pKa | 1 » 0 |
| 2.34 | OCHEM | 1 » 0 |
| 10.10 | IUPAC digitized pKa | 0 » -1 |
| 10.10 | AttenGpKa training set | 0 » -1 |
| 10.16 | Datawarrior | 0 » -1 |
| 10.16 | OCHEM | 0 » -1 |
| 10.23 | QSARToolbox | 0 » -1 |
| 10.23 | IUPAC digitized pKa | 0 » -1 |