Molecule ID: mol33053
SMILES: O=C(O)CCCCCCC(C(=O)O)(c1ccccc1)c1ccccc1
InChI: InChI=1S/C21H24O4/c22-19(23)15-9-1-2-10-16-21(20(24)25,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H,22,23)(H,24,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.33 | QSARToolbox | 0 » -1 |
| 4.33 | QSARToolbox | 0 » -1 |
| 4.63 | OCHEM | -1 » -2 |
| 5.38 | QSARToolbox | -1 » -2 |
| 5.38 | QSARToolbox | -1 » -2 |