Molecule ID: mol12419

SMILES: Cc1ccc[n+](O)c1

InChI: InChI=1S/C6H8NO/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization