Molecule ID: mol22604

SMILES: CCCC(C(=O)O)C(CCC)C(=O)O

InChI: InChI=1S/C10H18O4/c1-3-5-7(9(11)12)8(6-4-2)10(13)14/h7-8H,3-6H2,1-2H3,(H,11,12)(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization