Molecule ID: mol21779
SMILES: CC(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)O
InChI: InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.11 | AttenGpKa training set | 0 » -1 |
| 3.12 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.22 | QSARToolbox | 0 » -1 |