Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90378826

Structure

InChI Key KLECNQGLBJHVSH-UHFFFAOYSA-N
Smiles Nc1cc(Cl)c(F)c(Cl)c1F
InChI
InChI=1S/C6H3Cl2F2N/c7-2-1-3(11)6(10)4(8)5(2)9/h1H,11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3Cl2F2N1
Molecular Weight 196.96
AlogP 2.85
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 83121-15-7
NORMAN SUSDAT
ChemSpider 2054409.0