Molecule ID: mol17147

SMILES: C=CCCN(C1=NCCN1)c1c(Br)cccc1Br

InChI: InChI=1S/C13H15Br2N3/c1-2-3-9-18(13-16-7-8-17-13)12-10(14)5-4-6-11(12)15/h2,4-6H,1,3,7-9H2,(H,16,17)

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