Molecule ID: mol18904

SMILES: O=[N+]([O-])c1ncn(CCCN(Cc2ccc3cc(Br)ccc3n2)Cc2ccc3cc(Br)ccc3n2)n1

InChI: InChI=1S/C25H21Br2N7O2/c26-19-4-8-23-17(12-19)2-6-21(29-23)14-32(10-1-11-33-16-28-25(31-33)34(35)36)15-22-7-3-18-13-20(27)5-9-24(18)30-22/h2-9,12-13,16H,1,10-11,14-15H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.87 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization