Molecule ID: mol21313
SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(OC3OC(CO)C(O)C(O)C3NC(C)=O)cccc12
InChI: InChI=1S/C29H32N4O9S/c1-15(35)30-26-28(37)27(36)23(14-34)42-29(26)41-21-10-6-8-18-24(17-7-4-5-9-19(17)31-25(18)21)32-20-12-11-16(13-22(20)40-2)33-43(3,38)39/h4-13,23,26-29,33-34,36-37H,14H2,1-3H3,(H,30,35)(H,31,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.35 | Baltruschat ChEMBL | 1 » 0 |