Molecule ID: mol31171

SMILES: OC(O)=C1C=Cc2ccccc21

InChI: InChI=1S/C10H8O2/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-6,11-12H

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.90 QSARToolbox 0 » -1
1.90 AttenGpKa training set 0 » -1
8.30 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization