Molecule ID: mol5582

SMILES: CNC(=O)c1ccccc1

InChI: InChI=1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-2.00 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization