Molecule ID: mol6675

SMILES: Oc1ccc(-n2ccnc2)cc1

InChI: InChI=1S/C9H8N2O/c12-9-3-1-8(2-4-9)11-6-5-10-7-11/h1-7,12H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.35 IUPAC digitized pKa 1 » 0
5.35 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization