Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DW2JV2LFC3
EPA CompTox DTXSID30181730

Structure

InChI Key NKTZSKQMAITPBQ-UHFFFAOYSA-N
Smiles FC1=C(Cl)C=C(N)C=C1Cl
InChI
InChI=1/C6H4Cl2FN/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4Cl2FN
Molecular Weight 178.97
AlogP 2.71
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2729-34-2
NORMAN SUSDAT
FDA SRS DW2JV2LFC3
PubChem 75948