Molecule ID: mol11251

SMILES: COC(=O)C12CCC(C(=O)O)(CC1)C2

InChI: InChI=1S/C10H14O4/c1-14-8(13)10-4-2-9(6-10,3-5-10)7(11)12/h2-6H2,1H3,(H,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization