Molecule ID: mol21304

SMILES: COc1ccc2[nH]c3ccccc3c(=Nc3ccc(NS(C)(=O)=O)cc3OC)c2c1

InChI: InChI=1S/C22H21N3O4S/c1-28-15-9-11-19-17(13-15)22(16-6-4-5-7-18(16)23-19)24-20-10-8-14(12-21(20)29-2)25-30(3,26)27/h4-13,25H,1-3H3,(H,23,24)

Experimental Macro pKa Values

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