Molecule ID: mol18191
SMILES: Cc1ccc(NC(=O)c2ccc3nc(-c4c(C)cc(CCC(=O)O)cc4C)[nH]c3c2)cc1C
InChI: InChI=1S/C27H27N3O3/c1-15-5-8-21(13-16(15)2)28-27(33)20-7-9-22-23(14-20)30-26(29-22)25-17(3)11-19(12-18(25)4)6-10-24(31)32/h5,7-9,11-14H,6,10H2,1-4H3,(H,28,33)(H,29,30)(H,31,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | Baltruschat ChEMBL | 1 » 0 |