Molecule ID: mol7149

SMILES: CCCCNc1ncncc1Br

InChI: InChI=1S/C8H12BrN3/c1-2-3-4-11-8-7(9)5-10-6-12-8/h5-6H,2-4H2,1H3,(H,10,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.44 IUPAC digitized pKa 1 » 0
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Charge States and Microspecies Visualization