Molecule ID: mol5581

SMILES: COc1cccc(C(N)=O)c1

InChI: InChI=1S/C8H9NO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H2,9,10)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-2.45 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization