Keyword(s): Human Metabolites
Molecule Category Free-form
UNII I7XAM2W0YE
EPA CompTox DTXSID6063484

Structure

InChI Key DUDKKPVINWLFBI-UHFFFAOYSA-N
Smiles CC/C=C/Cl
InChI
InChI=1S/C4H7Cl/c1-2-3-4-5/h3-4H,2H2,1H3/b4-3+

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 4461-42-1
NORMAN SUSDAT
FDA SRS I7XAM2W0YE
PubChem 20526
ChemSpider 4576172.0