Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10567179

Structure

InChI Key YMEGPUJTODAJBS-UHFFFAOYSA-N
Smiles Cc1c(Cl)c(N)c(Cl)cc1Br
InChI
InChI=1S/C7H6BrCl2N/c1-3-4(8)2-5(9)7(11)6(3)10/h2H,11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H6Br1Cl2N1
Molecular Weight 252.91
AlogP 3.65
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 62406-68-2
NORMAN SUSDAT
PubChem 15027233
ChemSpider 14510221.0