Molecule ID: mol17146

SMILES: Brc1ccccc1N(CC1CC1)C1=NCCN1

InChI: InChI=1S/C13H16BrN3/c14-11-3-1-2-4-12(11)17(9-10-5-6-10)13-15-7-8-16-13/h1-4,10H,5-9H2,(H,15,16)

Experimental Macro pKa Values

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