Keyword(s): Human Metabolites
Molecule Category Free-form
UNII V4XZG82VP5
EPA CompTox DTXSID9064053

Structure

InChI Key XVRIEWDDMODMGA-UHFFFAOYSA-N
Smiles CC(=O)CCCCl
InChI
InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9Cl1O1
Molecular Weight 120.03
AlogP 1.59
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 5891-21-4
NORMAN SUSDAT
FDA SRS V4XZG82VP5
PubChem 79993
ChemSpider 72250.0