Molecule ID: mol20049
SMILES: CN(C)c1ccc2c(-c3cc(C(=O)O)ccc3C(=O)O)c3ccc4c(F)c(=O)ccc4c3oc2c1
InChI: InChI=1S/C27H18FNO6/c1-29(2)14-4-6-18-22(12-14)35-25-16-9-10-21(30)24(28)15(16)7-8-19(25)23(18)20-11-13(26(31)32)3-5-17(20)27(33)34/h3-12H,1-2H3,(H,31,32)(H,33,34)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.40 | OCHEM | 1 » 0 |
| 6.40 | Baltruschat ChEMBL | 1 » 0 |