Molecule ID: mol12348
SMILES: O=C(O)C1(O)CCC1
InChI: InChI=1S/C5H8O3/c6-4(7)5(8)2-1-3-5/h8H,1-3H2,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.82 | QSARToolbox | 0 » -1 |
| 3.82 | QSARToolbox | 0 » -1 |
| 3.88 | Datawarrior | 0 » -1 |
| 3.88 | OCHEM | 0 » -1 |
| 3.89 | AttenGpKa training set | 0 » -1 |