Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70437889

Structure

InChI Key LPTVWZSQAIDCEB-UHFFFAOYSA-N
Smiles Brc1cnc2[nH]ccc2c1
InChI
InChI=1S/C7H5BrN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5Br1N2
Molecular Weight 195.96
AlogP 2.28
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 28.68
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 183208-35-7
NORMAN SUSDAT
PubChem 10307932
ChemSpider 8483398.0