Molecule ID: mol21353

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2cccc(C)c2nc2c(C)cccc12

InChI: InChI=1S/C23H23N3O3S/c1-14-7-5-9-17-21(14)25-22-15(2)8-6-10-18(22)23(17)24-19-12-11-16(13-20(19)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
6.91 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization