Molecule ID: mol6552

SMILES: c1ccc(CNCc2ccccn2)nc1

InChI: InChI=1S/C12H13N3/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h1-8,13H,9-10H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.12 IUPAC digitized pKa 3 » 2
2.60 IUPAC digitized pKa 2 » 1
7.30 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization