Molecule ID: mol17794
SMILES: O=C(Nc1cc(Cl)ccc1O)Oc1cccc(C(F)(F)F)c1
InChI: InChI=1S/C14H9ClF3NO3/c15-9-4-5-12(20)11(7-9)19-13(21)22-10-3-1-2-8(6-10)14(16,17)18/h1-7,20H,(H,19,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.97 | OCHEM | 0 » -1 |
| 8.97 | Baltruschat ChEMBL | 0 » -1 |