Molecule ID: mol17869

SMILES: c1cc(-c2cnn[nH]2)ccn1

InChI: InChI=1S/C7H6N4/c1-3-8-4-2-6(1)7-5-9-11-10-7/h1-5H,(H,9,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.85 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization