Molecule ID: mol18477

SMILES: CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)c2cc(C)ccc2NS(=O)(=O)C(F)(F)F)cc1

InChI: InChI=1S/C26H28ClF3N4O5S/c1-4-5-6-22-32-24(27)21(14-23(35)39-3)34(22)15-17-8-10-18(11-9-17)31-25(36)19-13-16(2)7-12-20(19)33-40(37,38)26(28,29)30/h7-13,33H,4-6,14-15H2,1-3H3,(H,31,36)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.50 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization