Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N8Y3BVJ6D4
EPA CompTox DTXSID1062255

Structure

InChI Key HSEFPJMMKNHABB-UHFFFAOYSA-N
Smiles CCC(=C)Cl
InChI
InChI=1S/C4H7Cl/c1-3-4(2)5/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7Cl1
Molecular Weight 90.02
AlogP 2.15
Number of Rotational Bond 1.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 2211-70-3
NORMAN SUSDAT
FDA SRS N8Y3BVJ6D4
PubChem 40555
ChemSpider 37053.0