Molecule ID: mol11713

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

InChI: InChI=1S/C12H13NO2/c1-2-12(8-10(14)13-11(12)15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization