Molecule ID: mol29400
SMILES: O=C(O)CCNCCC(=O)O
InChI: InChI=1S/C6H11NO4/c8-5(9)1-3-7-4-2-6(10)11/h7H,1-4H2,(H,8,9)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.11 | OCHEM | 0 » -1 |
| 4.11 | AttenGpKa training set | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 4.11 | QSARToolbox | 0 » -1 |
| 9.61 | QSARToolbox | -1 » -2 |
| 9.61 | OCHEM | -1 » -2 |
| 9.61 | AttenGpKa training set | -1 » -2 |