Molecule ID: mol14488

SMILES: c1ccc(-c2nnn[nH]2)c(-c2nnn[nH]2)c1

InChI: InChI=1S/C8H6N8/c1-2-4-6(8-11-15-16-12-8)5(3-1)7-9-13-14-10-7/h1-4H,(H,9,10,13,14)(H,11,12,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.71 Datawarrior -1 » -2
2.71 OCHEM -1 » -2
2.71 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization