Molecule ID: mol33071
SMILES: COC(=O)C(CCCCC(=O)O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C20H22O4/c1-24-19(23)20(15-9-8-14-18(21)22,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13H,8-9,14-15H2,1H3,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.97 | QSARToolbox | 0 » -1 |
| 4.97 | QSARToolbox | 0 » -1 |
| 5.00 | OCHEM | 0 » -1 |