Molecule ID: mol21311

SMILES: COc1cc(NS(C)(=O)=O)ccc1N=c1c2ccccc2[nH]c2ccc(C(=N)O)cc12

InChI: InChI=1S/C22H20N4O4S/c1-30-20-12-14(26-31(2,28)29)8-10-19(20)25-21-15-5-3-4-6-17(15)24-18-9-7-13(22(23)27)11-16(18)21/h3-12,26H,1-2H3,(H2,23,27)(H,24,25)

Experimental Macro pKa Values

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