Molecule ID: mol25188

SMILES: O[n+]1cccc(Br)c1

InChI: InChI=1S/C5H5BrNO/c6-5-2-1-3-7(8)4-5/h1-4,8H/q+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.16 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization