Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key MHMUCYJKZUZMNJ-UHFFFAOYSA-N
Smiles O=C(O)C=CCl
InChI
InChI=1/C3H3ClO2/c4-2-1-3(5)6/h1-2H,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3ClO2
Molecular Weight 105.98
AlogP 0.82
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.3
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 1609-93-4
NORMAN SUSDAT
PubChem 16866