Molecule ID: mol21250
SMILES: O=C1C=C(O)CC1
InChI: InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h3,6H,1-2H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | OCHEM | 0 » -1 |
| 4.20 | Baltruschat ChEMBL | 0 » -1 |
| 4.36 | AttenGpKa training set | 0 » -1 |
| 5.23 | QSARToolbox | 0 » -1 |
| 5.23 | QSARToolbox | 0 » -1 |