Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3Q73QG9GNL
EPA CompTox DTXSID70216919

Structure

InChI Key XPTAYRHLHAFUOS-UHFFFAOYSA-N
Smiles N#CC=1C(F)=CC=CC1Cl
InChI
InChI=1/C7H3ClFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H3ClFN
Molecular Weight 154.99
AlogP 2.35
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 668-45-1
NORMAN SUSDAT
FDA SRS 3Q73QG9GNL
PubChem 69587