Molecule ID: mol17122

SMILES: Brc1ccc(Br)c(N(CC2CC2)C2=NCCN2)c1

InChI: InChI=1S/C13H15Br2N3/c14-10-3-4-11(15)12(7-10)18(8-9-1-2-9)13-16-5-6-17-13/h3-4,7,9H,1-2,5-6,8H2,(H,16,17)

Experimental Macro pKa Values

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