Molecule ID: mol9981

SMILES: O=CC1CCCCC1=O

InChI: InChI=1S/C7H10O2/c8-5-6-3-1-2-4-7(6)9/h5-6H,1-4H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.35 OCHEM 0 » -1
6.35 QSARToolbox 0 » -1
6.35 IUPAC digitized pKa 0 » -1
6.35 Datawarrior 0 » -1
6.35 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization