Molecule ID: mol18284

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(C(C)C)cc12

InChI: InChI=1S/C24H25N3O3S/c1-15(2)16-9-11-21-19(13-16)24(18-7-5-6-8-20(18)25-21)26-22-12-10-17(14-23(22)30-3)27-31(4,28)29/h5-15,27H,1-4H3,(H,25,26)

Experimental Macro pKa Values

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