Molecule ID: mol20790
SMILES: Cc1cc(C(=O)O)cc2sc(N3C4CCC3CC(OCc3c(-c5ccccc5OC(F)(F)F)noc3C3CC3)C4)nc12
InChI: InChI=1S/C30H28F3N3O5S/c1-15-10-17(28(37)38)11-24-25(15)34-29(42-24)36-18-8-9-19(36)13-20(12-18)39-14-22-26(35-41-27(22)16-6-7-16)21-4-2-3-5-23(21)40-30(31,32)33/h2-5,10-11,16,18-20H,6-9,12-14H2,1H3,(H,37,38)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.50 | Baltruschat ChEMBL | 0 » -1 |