Molecule ID: mol33073
SMILES: COC(=O)C(CCCCCC(=O)O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C21H24O4/c1-25-20(24)21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)16-10-4-9-15-19(22)23/h2-3,5-8,11-14H,4,9-10,15-16H2,1H3,(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.08 | QSARToolbox | 0 » -1 |
| 5.08 | OCHEM | 0 » -1 |
| 5.80 | QSARToolbox | 0 » -1 |