Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VKE7L55PP9
EPA CompTox DTXSID20205919

Structure

InChI Key FQJZPYXGPYJJIH-UHFFFAOYSA-N
Smiles Oc1ccc2ccccc2c1Br
InChI
InChI=1S/C10H7BrO/c11-10-8-4-2-1-3-7(8)5-6-9(10)12/h1-6,12H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H7Br1O1
Molecular Weight 221.97
AlogP 3.31
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 573-97-7
NORMAN SUSDAT
FDA SRS VKE7L55PP9
PubChem 11316
ChemSpider 10840.0