Molecule ID: mol29598

SMILES: CCC1(c2ccccc2)CCC(=O)NC1=O

InChI: InChI=1S/C13H15NO2/c1-2-13(10-6-4-3-5-7-10)9-8-11(15)14-12(13)16/h3-7H,2,8-9H2,1H3,(H,14,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization