Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3T4AXH68FH
EPA CompTox DTXSID3024657

Structure

InChI Key RQFUZUMFPRMVDX-UHFFFAOYSA-N
Smiles OCCCBr
InChI
InChI=1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7Br1O1
Molecular Weight 137.97
AlogP 0.76
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 627-18-9
NORMAN SUSDAT
FDA SRS 3T4AXH68FH
PubChem 12308
ChemSpider 11805.0