Molecule ID: mol19396

SMILES: CCCCOc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc2c1

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

Experimental Macro pKa Values

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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