Molecule ID: mol32993
SMILES: O=C(O)C1C2C=CC(CC2)C1C(=O)O
InChI: InChI=1S/C10H12O4/c11-9(12)7-5-1-2-6(4-3-5)8(7)10(13)14/h1-2,5-8H,3-4H2,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.15 | QSARToolbox | -1 » -2 |
| 4.45 | OCHEM | -1 » -2 |
| 7.82 | QSARToolbox | -1 » -2 |