Molecule ID: mol10911

SMILES: O=C(O)CCCC1CCCC1=O

InChI: InChI=1S/C9H14O3/c10-8-5-1-3-7(8)4-2-6-9(11)12/h7H,1-6H2,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization