Molecule ID: mol15833

SMILES: Ic1nnn[nH]1

InChI: InChI=1S/CHIN4/c2-1-3-5-6-4-1/h(H,3,4,5,6)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-4.40 AttenGpKa training set 1 » 0
2.85 OCHEM 0 » -1
2.85 Datawarrior 0 » -1
2.85 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization