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

Structure

InChI Key PCPYTNCQOSFKGG-UHFFFAOYSA-N
Smiles ClC=CC=C
InChI
InChI=1/C4H5Cl/c1-2-3-4-5/h2-4H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5Cl
Molecular Weight 88.01
AlogP 1.92
Number of Rotational Bond 1.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 627-22-5
NORMAN SUSDAT
PubChem 12311