Molecule ID: mol31380

SMILES: CCC(OO)(c1ccccc1)c1ccccc1

InChI: InChI=1S/C15H16O2/c1-2-15(17-16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,16H,2H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization