Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EK7NKC6WE4
EPA CompTox DTXSID801308257

Structure

InChI Key SFMFACMIOWQIPR-ONEGZZNKSA-N
Smiles O=C(Cl)C=COCC
InChI
InChI=1/C5H7ClO2/c1-2-8-4-3-5(6)7/h3-4H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7ClO2
Molecular Weight 134.01
AlogP 1.3
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 99471-66-6
NORMAN SUSDAT
FDA SRS EK7NKC6WE4
PubChem 5325500