Molecule ID: mol5411
SMILES: NCC(O)C(=O)O
InChI: InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.72 | IUPAC digitized pKa | 1 » 0 |
| 2.78 | QSARToolbox | 1 » 0 |
| 2.78 | QSARToolbox | 1 » 0 |
| 2.78 | Datawarrior | 1 » 0 |
| 2.78 | OCHEM | 1 » 0 |
| 9.27 | Datawarrior | 0 » -1 |
| 9.27 | OCHEM | 0 » -1 |
| 9.33 | IUPAC digitized pKa | 0 » -1 |