Molecule ID: mol33074
SMILES: COC(=O)CCCCCC(C(=O)O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C21H24O4/c1-25-19(22)15-9-4-10-16-21(20(23)24,17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-3,5-8,11-14H,4,9-10,15-16H2,1H3,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.50 | OCHEM | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |