Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QR862S6CEL
EPA CompTox DTXSID00240424

Structure

InChI Key CHKLNKWJIDQKFV-UHFFFAOYSA-N
Smiles N#CC=1C=CC=C(Cl)C1F
InChI
InChI=1/C7H3ClFN/c8-6-3-1-2-5(4-10)7(6)9/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 94087-40-8
NORMAN SUSDAT
FDA SRS QR862S6CEL
PubChem 523100