Molecule ID: mol4462

SMILES: O=[N+]([O-])c1cnc2ccccc2c1

InChI: InChI=1S/C9H6N2O2/c12-11(13)8-5-7-3-1-2-4-9(7)10-6-8/h1-6H

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization