Molecule ID: mol21312

SMILES: CCCCOc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc12

InChI: InChI=1S/C25H27N3O4S/c1-4-5-15-32-22-12-8-10-19-24(18-9-6-7-11-20(18)26-25(19)22)27-21-14-13-17(16-23(21)31-2)28-33(3,29)30/h6-14,16,28H,4-5,15H2,1-3H3,(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization