Molecule ID: mol21320

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(C(C)(C)C)ccc12

InChI: InChI=1S/C25H27N3O3S/c1-25(2,3)16-10-12-19-22(14-16)26-20-9-7-6-8-18(20)24(19)27-21-13-11-17(15-23(21)31-4)28-32(5,29)30/h6-15,28H,1-5H3,(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization