Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 224CY68X2V
EPA CompTox DTXSID00212585

Structure

InChI Key MAGOYBJJLVSJIC-UHFFFAOYSA-N
Smiles CC(=O)CCCl
InChI
InChI=1S/C4H7ClO/c1-4(6)2-3-5/h2-3H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7Cl1O1
Molecular Weight 106.02
AlogP 1.2
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 6322-49-2
NORMAN SUSDAT
FDA SRS 224CY68X2V
PubChem 80608
ChemSpider 72799.0