Molecule ID: mol17700

SMILES: C[n+]1c2ccccc2c(Nc2ccc(NS(C)(=O)=O)cc2)c2ccc(N)cc21

InChI: InChI=1S/C21H20N4O2S/c1-25-19-6-4-3-5-17(19)21(18-12-7-14(22)13-20(18)25)23-15-8-10-16(11-9-15)24-28(2,26)27/h3-13,24H,1-2H3,(H2,22,23)/p+1

Experimental Macro pKa Values

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