Molecule ID: mol8694

SMILES: O=C1C=C(O)CCC1

InChI: InChI=1S/C6H8O2/c7-5-2-1-3-6(8)4-5/h4,7H,1-3H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization