Molecule ID: mol21318

SMILES: COc1cc(NS(C)(=O)=O)ccc1N=c1c2ccccc2[nH]c2ccc(C(C)(C)C)cc12

InChI: InChI=1S/C25H27N3O3S/c1-25(2,3)16-10-12-21-19(14-16)24(18-8-6-7-9-20(18)26-21)27-22-13-11-17(15-23(22)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
7.38 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization