Molecule ID: mol7117

SMILES: CNc1ncc(-c2ccc(N)cc2)cn1

InChI: InChI=1S/C11H12N4/c1-13-11-14-6-9(7-15-11)8-2-4-10(12)5-3-8/h2-7H,12H2,1H3,(H,13,14,15)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.99 IUPAC digitized pKa 2 » 1
4.25 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization