Molecule ID: mol12750

SMILES: O=C(O)C12CCC(O)(CC1)CC2

InChI: InChI=1S/C9H14O3/c10-7(11)8-1-4-9(12,5-2-8)6-3-8/h12H,1-6H2,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.33 OCHEM 0 » -1
6.33 QSARToolbox 0 » -1
6.33 QSARToolbox 0 » -1
6.33 QSARToolbox 0 » -1
6.33 Datawarrior 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization