Molecule ID: mol7147

SMILES: CCCCNc1ncc(Br)cn1

InChI: InChI=1S/C8H12BrN3/c1-2-3-4-10-8-11-5-7(9)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
2.19 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization