Molecule ID: mol30741

SMILES: CC(=O)CCC1(C)OC(=O)c2c(O)cccc21

InChI: InChI=1S/C13H14O4/c1-8(14)6-7-13(2)9-4-3-5-10(15)11(9)12(16)17-13/h3-5,15H,6-7H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization