Molecule ID: mol12945
SMILES: O=C(O)C1=C(CO)CCC1
InChI: InChI=1S/C7H10O3/c8-4-5-2-1-3-6(5)7(9)10/h8H,1-4H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.54 | QSARToolbox | 0 » -1 |
| 4.54 | QSARToolbox | 0 » -1 |
| 4.54 | Datawarrior | 0 » -1 |
| 4.54 | OCHEM | 0 » -1 |