Molecule ID: mol22453

SMILES: O=C(O)CCCCCC1CCCCC1

InChI: InChI=1S/C12H22O2/c13-12(14)10-6-2-5-9-11-7-3-1-4-8-11/h11H,1-10H2,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization