Molecule ID: mol16379

SMILES: Brc1ccc2c(c1)c1c3n2CCN(Cc2ccccc2)C3CCC1

InChI: InChI=1S/C21H21BrN2/c22-16-9-10-19-18(13-16)17-7-4-8-20-21(17)24(19)12-11-23(20)14-15-5-2-1-3-6-15/h1-3,5-6,9-10,13,20H,4,7-8,11-12,14H2

Experimental Macro pKa Values

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