Molecule ID: mol10236

SMILES: O=C(O)[C@H]1CC[C@H](Cl)CC1

InChI: InChI=1S/C7H11ClO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4H2,(H,9,10)/t5-,6-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization