Molecule ID: mol18483
SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1
InChI: InChI=1S/C25H29ClN4O5S/c1-4-5-10-22-28-24(26)21(15-23(31)35-2)30(22)16-17-11-13-18(14-12-17)27-25(32)19-8-6-7-9-20(19)29-36(3,33)34/h6-9,11-14,29H,4-5,10,15-16H2,1-3H3,(H,27,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.90 | Baltruschat ChEMBL | 0 » -1 |