Molecule ID: euroSAMPL-16

SMILES: CC(C)CC(=O)Nc1cccc(O)c1

InChI: InChI=1S/C11H15NO2/c1-8(2)6-11(14)12-9-4-3-5-10(13)7-9/h3-5,7-8,13H,6H2,1-2H3,(H,12,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.46 euroSAMPL1 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization