Molecule ID: mol1874
SMILES: O=C(O)/C=C/Cl
InChI: InChI=1S/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)/b2-1+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.72 | AttenGpKa training set | 0 » -1 |
| 3.79 | IUPAC digitized pKa | 0 » -1 |
| 3.79 | OCHEM | 0 » -1 |
| 3.79 | Hunt | 0 » -1 |