Molecule ID: mol17139

SMILES: Brc1cccc(N(CC2CC2)C2=NCCN2)c1Br

InChI: InChI=1S/C13H15Br2N3/c14-10-2-1-3-11(12(10)15)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
11.10 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization