Molecule ID: mol18715

SMILES: COc1cc(NS(C)(=O)=O)ccc1Cc1c2c(nc3ccccc13)C(=N)CC=C2

InChI: InChI=1S/C22H21N3O3S/c1-28-21-13-15(25-29(2,26)27)11-10-14(21)12-18-16-6-3-4-9-20(16)24-22-17(18)7-5-8-19(22)23/h3-7,9-11,13,23,25H,8,12H2,1-2H3

Experimental Macro pKa Values

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