Molecule ID: mol23313

SMILES: O=C(O)C1C=CCc2ccccc21

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization