Molecule ID: mol29979
SMILES: CCCCCCCCC/C(=C\C1=C(C)C(=O)C(OC)=C(OC)C1=O)C(=O)O
InChI: InChI=1S/C21H30O6/c1-5-6-7-8-9-10-11-12-15(21(24)25)13-16-14(2)17(22)19(26-3)20(27-4)18(16)23/h13H,5-12H2,1-4H3,(H,24,25)/b15-13+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | QSARToolbox | 0 » -1 |
| 4.10 | AttenGpKa training set | 0 » -1 |