Molecule ID: mol18262
SMILES: COC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc2c1
InChI: InChI=1S/C23H22N4O5S/c1-31-21-13-15(27-33(3,29)30)9-11-19(21)26-22-16-6-4-5-7-18(16)25-20-12-14(8-10-17(20)22)24-23(28)32-2/h4-13,27H,1-3H3,(H,24,28)(H,25,26)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.77 | OCHEM | 1 » 0 |
| 7.77 | Baltruschat ChEMBL | 1 » 0 |