Molecule ID: mol2256
SMILES: C/C=C(/C)C(=O)O
InChI: InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.25 | AttenGpKa training set | 0 » -1 |
| 4.29 | OCHEM | 0 » -1 |
| 4.29 | Hunt | 0 » -1 |
| 4.30 | Baltruschat ChEMBL | 0 » -1 |