Molecule ID: mol17680

SMILES: C[n+]1c2ccccc2c(Nc2ccc(NS(=O)(=O)CCCCN)cc2)c2ccccc21

InChI: InChI=1S/C24H26N4O2S/c1-28-22-10-4-2-8-20(22)24(21-9-3-5-11-23(21)28)26-18-12-14-19(15-13-18)27-31(29,30)17-7-6-16-25/h2-5,8-15,27H,6-7,16-17,25H2,1H3/p+1

Experimental Macro pKa Values

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