Molecule ID: mol9996

SMILES: O=C(O)CCC1CCOC1=O

InChI: InChI=1S/C7H10O4/c8-6(9)2-1-5-3-4-11-7(5)10/h5H,1-4H2,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization