Molecule ID: mol17678

SMILES: CN(C)CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1

InChI: InChI=1S/C25H27N5O4S/c1-29(2)15-5-6-16-35(33,34)28-19-11-9-18(10-12-19)26-25-21-7-3-4-8-23(21)27-24-17-20(30(31)32)13-14-22(24)25/h3-4,7-14,17,28H,5-6,15-16H2,1-2H3,(H,26,27)

Experimental Macro pKa Values

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