Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80955983

Structure

InChI Key CJFHQJDFNSXAOC-UHFFFAOYSA-N
Smiles O=C1NCCCC1Br
InChI
InChI=1/C5H8BrNO/c6-4-2-1-3-7-5(4)8/h4H,1-3H2,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H8BrNO
Molecular Weight 176.98
AlogP 1.5
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 32.59
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 34433-86-8
NORMAN SUSDAT
PubChem 118171