Molecule ID: mol33072
SMILES: COC(=O)CCCCC(C(=O)O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C20H22O4/c1-24-18(21)14-8-9-15-20(19(22)23,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13H,8-9,14-15H2,1H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.40 | OCHEM | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |