Molecule ID: mol17145

SMILES: Clc1cccc(Br)c1N(CC1CC1)C1=NCCN1

InChI: InChI=1S/C13H15BrClN3/c14-10-2-1-3-11(15)12(10)18(8-9-4-5-9)13-16-6-7-17-13/h1-3,9H,4-8H2,(H,16,17)

Experimental Macro pKa Values

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