Molecule ID: mol16074
SMILES: O=C(O)CCc1cc2c(-c3cccc(C(=O)O)c3C(=O)O)c3cc(CCC(=O)O)c(=O)cc-3oc2cc1O
InChI: InChI=1S/C27H20O11/c28-18-10-20-16(8-12(18)4-6-22(30)31)24(14-2-1-3-15(26(34)35)25(14)27(36)37)17-9-13(5-7-23(32)33)19(29)11-21(17)38-20/h1-3,8-11,28H,4-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | Baltruschat ChEMBL | -4 » -5 |