Molecule ID: mol13168

SMILES: Oc1ccc2cn[nH]c2c1

InChI: InChI=1S/C7H6N2O/c10-6-2-1-5-4-8-9-7(5)3-6/h1-4,10H,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization