Molecule ID: mol25167

SMILES: O[n+]1ccc(Cl)cc1

InChI: InChI=1S/C5H5ClNO/c6-5-1-3-7(8)4-2-5/h1-4,8H/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization