Molecule ID: mol18270
SMILES: C=NC(=O)CCc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc12
InChI: InChI=1S/C25H24N4O4S/c1-26-23(30)14-11-16-7-6-9-19-24(16)27-20-10-5-4-8-18(20)25(19)28-21-13-12-17(15-22(21)33-2)29-34(3,31)32/h4-10,12-13,15,29H,1,11,14H2,2-3H3,(H,27,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.15 | OCHEM | 1 » 0 |
| 7.15 | Baltruschat ChEMBL | 1 » 0 |