Molecule ID: mol17681

SMILES: Cc1cccc2c(Nc3ccc(NS(=O)(=O)CCCCN)cc3)c3ccc([N+](=O)[O-])cc3nc12

InChI: InChI=1S/C24H25N5O4S/c1-16-5-4-6-21-23(16)27-22-15-19(29(30)31)11-12-20(22)24(21)26-17-7-9-18(10-8-17)28-34(32,33)14-3-2-13-25/h4-12,15,28H,2-3,13-14,25H2,1H3,(H,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.44 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization