Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AD5G5CM4GV
EPA CompTox DTXSID5061374

Structure

InChI Key BNUTXEKPXPZAIT-UHFFFAOYSA-N
Smiles CCCC(Br)CCC
InChI
InChI=1S/C7H15Br/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15Br1
Molecular Weight 178.04
AlogP 3.35
Number of Rotational Bond 4.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 998-93-6
NORMAN SUSDAT
FDA SRS AD5G5CM4GV
PubChem 70460
ChemSpider 63639.0