Molecule ID: mol30649

SMILES: CC(=O)C1CCc2cccc(O)c2C1=O

InChI: InChI=1S/C12H12O3/c1-7(13)9-6-5-8-3-2-4-10(14)11(8)12(9)15/h2-4,9,14H,5-6H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization