Molecule ID: mol17936
SMILES: Cc1c(O)ccc2c(Cc3ccc(/C=C/C(=O)O)cc3)c(-c3ccc(OC(F)(F)F)cc3)c(=O)oc12
InChI: InChI=1S/C27H19F3O6/c1-15-22(31)12-11-20-21(14-17-4-2-16(3-5-17)6-13-23(32)33)24(26(34)35-25(15)20)18-7-9-19(10-8-18)36-27(28,29)30/h2-13,31H,14H2,1H3,(H,32,33)/b13-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | Baltruschat ChEMBL | -1 » -2 |