Molecule ID: mol34690

SMILES: CC(=O)C1=C(O)CCCC1=O

InChI: InChI=1S/C8H10O3/c1-5(9)8-6(10)3-2-4-7(8)11/h10H,2-4H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization