Molecule ID: mol12934
SMILES: O=C(O)CCc1ccoc1
InChI: InChI=1S/C7H8O3/c8-7(9)2-1-6-3-4-10-5-6/h3-5H,1-2H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.44 | Datawarrior | 0 » -1 |
| 4.44 | QSARToolbox | 0 » -1 |
| 4.44 | QSARToolbox | 0 » -1 |
| 4.44 | OCHEM | 0 » -1 |