Molecule ID: mol29398
SMILES: O=C(O)CCNCC(=O)O
InChI: InChI=1S/C5H9NO4/c7-4(8)1-2-6-3-5(9)10/h6H,1-3H2,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.61 | QSARToolbox | 0 » -1 |
| 3.61 | QSARToolbox | 0 » -1 |
| 3.61 | OCHEM | 0 » -1 |
| 3.61 | AttenGpKa training set | 0 » -1 |
| 9.46 | OCHEM | -1 » -2 |
| 9.46 | AttenGpKa training set | -1 » -2 |
| 9.46 | QSARToolbox | -1 » -2 |