Molecule ID: mol26925

SMILES: O=C1C=C(C2=C(O)CCCC2=O)CCC1

InChI: InChI=1S/C12H14O3/c13-9-4-1-3-8(7-9)12-10(14)5-2-6-11(12)15/h7,14H,1-6H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization