Molecule ID: mol3639

SMILES: CN(C)CCN(c1ccccn1)c1ccc(Br)s1

InChI: InChI=1S/C13H16BrN3S/c1-16(2)9-10-17(12-5-3-4-8-15-12)13-7-6-11(14)18-13/h3-8H,9-10H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.63 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization