Molecule ID: mol32989
SMILES: O=C(O)C1Cc2ccccc2CC1C(=O)O
InChI: InChI=1S/C12H12O4/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-4,9-10H,5-6H2,(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.00 | QSARToolbox | 0 » -1 |
| 4.30 | OCHEM | -1 » -2 |
| 5.40 | OCHEM | -1 » -2 |
| 5.70 | QSARToolbox | -1 » -2 |