Molecule ID: mol23730

SMILES: CCC(=O)Nc1ccccc1

InChI: InChI=1S/C9H11NO/c1-2-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization