Molecule ID: mol20050
SMILES: CN(C)c1ccc2c(-c3cc(C(=O)O)ccc3C(=O)O)c3cc(F)c4cc(=O)ccc4c3oc2c1
InChI: InChI=1S/C27H18FNO6/c1-29(2)14-4-7-18-23(10-14)35-25-16-8-5-15(30)11-19(16)22(28)12-21(25)24(18)20-9-13(26(31)32)3-6-17(20)27(33)34/h3-12H,1-2H3,(H,31,32)(H,33,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | OCHEM | 1 » 0 |
| 7.20 | Baltruschat ChEMBL | 1 » 0 |