Molecule ID: mol12171

SMILES: O=C1CC(Cc2ccccc2)(c2ccccc2)C(=O)N1

InChI: InChI=1S/C17H15NO2/c19-15-12-17(16(20)18-15,14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization