Molecule ID: mol16728

SMILES: O=[N+]([O-])c1ccccn1

InChI: InChI=1S/C5H4N2O2/c8-7(9)5-3-1-2-4-6-5/h1-4H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-2.06 AttenGpKa training set 1 » 0
2.20 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization