Molecule ID: mol23729

SMILES: CCC(=O)c1ccc(N)cc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization