Molecule ID: mol18405
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(C)cc2nc2c(C(=O)NCC(N)=O)cccc12
InChI: InChI=1S/C25H25N5O5S/c1-14-7-9-16-20(11-14)29-24-17(5-4-6-18(24)25(32)27-13-22(26)31)23(16)28-19-10-8-15(12-21(19)35-2)30-36(3,33)34/h4-12,30H,13H2,1-3H3,(H2,26,31)(H,27,32)(H,28,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.53 | Baltruschat ChEMBL | 1 » 0 |