Molecule ID: mol21358

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)c(C)ccc12

InChI: InChI=1S/C23H23N3O3S/c1-14-9-11-18-22(15(14)2)24-19-8-6-5-7-17(19)23(18)25-20-12-10-16(13-21(20)29-3)26-30(4,27)28/h5-13,26H,1-4H3,(H,24,25)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.65 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization