Molecule ID: mol21339

SMILES: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(N=[N+]=[N-])cc2nc2c(C)cccc12

InChI: InChI=1S/C22H20N6O3S/c1-13-5-4-6-17-21(13)25-19-11-14(26-28-23)7-9-16(19)22(17)24-18-10-8-15(12-20(18)31-2)27-32(3,29)30/h4-12,27H,1-3H3,(H,24,25)

Experimental Macro pKa Values

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