Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8U2ML7JC3G
EPA CompTox DTXSID60205973

Structure

InChI Key GJNJDELEHIGPKJ-UHFFFAOYSA-N
Smiles N#CC1=CC(Cl)=CC=C1F
InChI
InChI=1/C7H3ClFN/c8-6-1-2-7(9)5(3-6)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 57381-34-7
NORMAN SUSDAT
FDA SRS 8U2ML7JC3G
PubChem 93653