Molecule ID: mol22599

SMILES: O=C(O)C(=O)C1CCCCC1C(=O)O

InChI: InChI=1S/C9H12O5/c10-7(9(13)14)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,11,12)(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization