Molecule ID: mol9215
SMILES: O=C(O)CNCC(=O)O
InChI: InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.32 | OCHEM | 1 » 0 |
| 2.50 | IUPAC digitized pKa | 0 » -1 |
| 2.50 | QSARToolbox | 0 » -1 |
| 2.50 | QSARToolbox | 0 » -1 |
| 2.54 | QSARToolbox | 0 » -1 |
| 2.54 | QSARToolbox | 0 » -1 |
| 2.54 | QSARToolbox | 0 » -1 |
| 2.55 | IUPAC digitized pKa | 0 » -1 |
| 2.60 | QSARToolbox | 0 » -1 |
| 2.60 | QSARToolbox | 0 » -1 |
| 2.65 | IUPAC digitized pKa | 0 » -1 |
| 2.65 | QSARToolbox | 0 » -1 |
| 2.65 | QSARToolbox | 0 » -1 |
| 2.84 | IUPAC digitized pKa | 0 » -1 |
| 2.98 | IUPAC digitized pKa | 0 » -1 |
| 2.98 | AttenGpKa training set | 0 » -1 |
| 2.98 | QSARToolbox | 0 » -1 |
| 2.98 | QSARToolbox | 0 » -1 |
| 2.98 | QSARToolbox | 0 » -1 |
| 2.98 | QSARToolbox | 0 » -1 |
| 3.01 | IUPAC digitized pKa | 0 » -1 |
| 9.05 | QSARToolbox | -1 » -2 |
| 9.05 | QSARToolbox | -1 » -2 |
| 9.12 | QSARToolbox | -1 » -2 |
| 9.12 | QSARToolbox | -1 » -2 |
| 9.12 | QSARToolbox | -1 » -2 |
| 9.38 | IUPAC digitized pKa | -1 » -2 |
| 9.38 | QSARToolbox | -1 » -2 |
| 9.38 | QSARToolbox | -1 » -2 |
| 9.40 | QSARToolbox | -1 » -2 |
| 9.40 | IUPAC digitized pKa | -1 » -2 |
| 9.42 | OCHEM | -1 » -2 |
| 9.44 | IUPAC digitized pKa | -1 » -2 |
| 9.45 | IUPAC digitized pKa | -1 » -2 |
| 9.46 | QSARToolbox | -1 » -2 |
| 9.46 | QSARToolbox | -1 » -2 |
| 9.60 | IUPAC digitized pKa | -1 » -2 |
| 9.89 | IUPAC digitized pKa | -1 » -2 |
| 9.89 | AttenGpKa training set | -1 » -2 |
| 9.89 | QSARToolbox | -1 » -2 |
| 9.89 | QSARToolbox | -1 » -2 |
| 9.89 | QSARToolbox | -1 » -2 |
| 10.70 | IUPAC digitized pKa | -1 » -2 |