Molecule ID: mol20051
SMILES: CN(C)c1ccc2c(-c3cc(C(=O)O)ccc3C(=O)O)c3ccc4cc(=O)ccc4c3oc2c1
InChI: InChI=1S/C27H19NO6/c1-28(2)16-5-9-20-23(13-16)34-25-18-10-6-17(29)11-14(18)3-8-21(25)24(20)22-12-15(26(30)31)4-7-19(22)27(32)33/h3-13H,1-2H3,(H,30,31)(H,32,33)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | OCHEM | 1 » 0 |
| 7.50 | Baltruschat ChEMBL | 1 » 0 |