Molecule ID: mol18596

SMILES: C[N+](C)=[N+]=Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1

InChI: InChI=1S/C22H22N6O2S/c1-28(2)27-25-17-12-13-19-21(14-17)24-20-7-5-4-6-18(20)22(19)23-15-8-10-16(11-9-15)26-31(3,29)30/h4-14,26H,1-3H3,(H,23,24)/q+2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.13 Baltruschat ChEMBL 3 » 2
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Charge States and Microspecies Visualization