Molecule ID: mol4475

SMILES: Nc1cc[n+]([O-])c2ccccc12

InChI: InChI=1S/C9H8N2O/c10-8-5-6-11(12)9-4-2-1-3-7(8)9/h1-6H,10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization