Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90191991

Structure

InChI Key GMZBZKVJMOEKGM-UHFFFAOYSA-N
Smiles BrCCCC=O
InChI
InChI=1S/C4H7BrO/c5-3-1-2-4-6/h4H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7Br1O1
Molecular Weight 149.97
AlogP 1.36
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 38694-47-2
NORMAN SUSDAT
PubChem 3016005
ChemSpider 2284025.0