Molecule ID: mol12940
SMILES: O=C(O)CCc1ccco1
InChI: InChI=1S/C7H8O3/c8-7(9)4-3-6-2-1-5-10-6/h1-2,5H,3-4H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.36 | Datawarrior | 0 » -1 |
| 4.36 | OCHEM | 0 » -1 |
| 4.36 | QSARToolbox | 0 » -1 |
| 4.36 | QSARToolbox | 0 » -1 |