Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10885567

Structure

InChI Key WMDHQEHPOVOEOG-UHFFFAOYSA-N
Smiles BrCCC1OCCCO1
InChI
InChI=1/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11BrO2
Molecular Weight 193.99
AlogP 1.53
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 18.46
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 33884-43-4
NORMAN SUSDAT
PubChem 520656