Molecule ID: mol17677

SMILES: COc1cc(NS(=O)(=O)CCCCN)ccc1Nc1c2ccccc2nc2cc([N+](=O)[O-])ccc12

InChI: InChI=1S/C24H25N5O5S/c1-34-23-14-16(28-35(32,33)13-5-4-12-25)8-11-21(23)27-24-18-6-2-3-7-20(18)26-22-15-17(29(30)31)9-10-19(22)24/h2-3,6-11,14-15,28H,4-5,12-13,25H2,1H3,(H,26,27)

Experimental Macro pKa Values

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