Molecule ID: mol12333
SMILES: O=C1OCC(O)=C1O
InChI: InChI=1S/C4H4O4/c5-2-1-8-4(7)3(2)6/h5-6H,1H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | Datawarrior | 0 » -1 |
| 4.40 | AttenGpKa training set | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.40 | OCHEM | 0 » -1 |
| 11.50 | AttenGpKa training set | -1 » -2 |