Molecule ID: mol9216
SMILES: O=C(O)CCC(=O)NO
InChI: InChI=1S/C4H7NO4/c6-3(5-9)1-2-4(7)8/h9H,1-2H2,(H,5,6)(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | IUPAC digitized pKa | 0 » -1 |
| 4.50 | AttenGpKa training set | 0 » -1 |
| 9.60 | IUPAC digitized pKa | -1 » -2 |
| 9.60 | AttenGpKa training set | -1 » -2 |