Molecule ID: mol13121
SMILES: NC(CCC(=O)O)C(=O)O
InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.08 | OCHEM | 1 » 0 |
| 2.08 | Datawarrior | 1 » 0 |
| 2.11 | QSARToolbox | 1 » 0 |
| 2.13 | QSARToolbox | 1 » 0 |
| 2.16 | OCHEM | 1 » 0 |
| 2.16 | QSARToolbox | 1 » 0 |
| 2.19 | QSARToolbox | 1 » 0 |
| 4.07 | OCHEM | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |
| 4.15 | QSARToolbox | 0 » -1 |
| 4.46 | Datawarrior | 0 » -1 |
| 9.33 | OCHEM | -1 » -2 |
| 9.33 | Datawarrior | -1 » -2 |