Molecule ID: mol31379

SMILES: CC(OO)(c1ccccc1)c1ccccc1

InChI: InChI=1S/C14H14O2/c1-14(16-15,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,15H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization