Molecule ID: mol13547
SMILES: O=C(O)C1COCCO1
InChI: InChI=1S/C5H8O4/c6-5(7)4-3-8-1-2-9-4/h4H,1-3H2,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.15 | Datawarrior | 0 » -1 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |