Molecule ID: mol23291

SMILES: CCc1ccccc1CC(=O)O

InChI: InChI=1S/C10H12O2/c1-2-8-5-3-4-6-9(8)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization