Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2R9WPL55Q8
EPA CompTox DTXSID30209524

Structure

InChI Key PGKPNNMOFHNZJX-UHFFFAOYSA-N
Smiles N#CC1=CC=C(F)C=C1Cl
InChI
InChI=1/C7H3ClFN/c8-7-3-6(9)2-1-5(7)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 60702-69-4
NORMAN SUSDAT
FDA SRS 2R9WPL55Q8
PubChem 109000