Molecule ID: mol33052
SMILES: O=C(O)CCCCCC(C(=O)O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C20H22O4/c21-18(22)14-8-3-9-15-20(19(23)24,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,21,22)(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.31 | QSARToolbox | 0 » -1 |
| 4.31 | QSARToolbox | 0 » -1 |
| 4.61 | OCHEM | -1 » -2 |
| 5.39 | QSARToolbox | -1 » -2 |
| 5.39 | QSARToolbox | -1 » -2 |