Molecule ID: mol18324

SMILES: c1cc2cc(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5[nH]4)cc3)[nH]c2cc1C1=NCCCN1

InChI: InChI=1S/C30H28N6/c1-11-31-29(32-12-1)23-9-7-21-15-25(35-27(21)17-23)19-3-5-20(6-4-19)26-16-22-8-10-24(18-28(22)36-26)30-33-13-2-14-34-30/h3-10,15-18,35-36H,1-2,11-14H2,(H,31,32)(H,33,34)

Experimental Macro pKa Values

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