Molecule ID: mol34689

SMILES: CC(=O)C1=C(O)CCC1=O

InChI: InChI=1S/C7H8O3/c1-4(8)7-5(9)2-3-6(7)10/h9H,2-3H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.67 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization