Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10885587

Structure

InChI Key OGVSYCZHGUMILG-UHFFFAOYSA-N
Smiles BrCCCOC(OCC)C
InChI
InChI=1/C7H15BrO2/c1-3-9-7(2)10-6-4-5-8/h7H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15BrO2
Molecular Weight 210.03
AlogP 2.17
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 18.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 34399-67-2
NORMAN SUSDAT
PubChem 118164