Molecule ID: mol17115

SMILES: CCCCN(C1=NCCN1)c1c(Br)cccc1Br

InChI: InChI=1S/C13H17Br2N3/c1-2-3-9-18(13-16-7-8-17-13)12-10(14)5-4-6-11(12)15/h4-6H,2-3,7-9H2,1H3,(H,16,17)

Experimental Macro pKa Values

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