Molecule ID: mol23315

SMILES: O=C(O)C1=Cc2ccccc2CC1

InChI: InChI=1S/C11H10O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,7H,5-6H2,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization