Molecule ID: mol26052

SMILES: O[n+]1cccc2ccccc21

InChI: InChI=1S/C9H8NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization