Molecule ID: mol6553

SMILES: c1cncc(CNCc2cccnc2)c1

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.95 IUPAC digitized pKa 3 » 2
3.90 IUPAC digitized pKa 2 » 1
7.15 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization