Molecule ID: mol9238
SMILES: CC(O)C(N)C(=O)O
InChI: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.09 | QSARToolbox | 1 » 0 |
| 2.09 | AttenGpKa training set | 1 » 0 |
| 2.17 | QSARToolbox | 1 » 0 |
| 2.20 | QSARToolbox | 1 » 0 |
| 2.21 | QSARToolbox | 1 » 0 |
| 2.30 | IUPAC digitized pKa | 1 » 0 |
| 2.32 | IUPAC digitized pKa | 1 » 0 |
| 2.32 | IUPAC digitized pKa | 1 » 0 |
| 2.77 | QSARToolbox | 1 » 0 |
| 8.71 | IUPAC digitized pKa | 0 » -1 |
| 9.03 | IUPAC digitized pKa | 0 » -1 |
| 9.10 | AttenGpKa training set | 0 » -1 |
| 9.26 | IUPAC digitized pKa | 0 » -1 |