Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JE3FH53DP6
EPA CompTox DTXSID50193512

Structure

InChI Key JWVTWJNGILGLAT-UHFFFAOYSA-N
Smiles FC1=CC=C(C=C)C=C1
InChI
InChI=1/C8H7F/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7F
Molecular Weight 122.05
AlogP 2.47
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 405-99-2
NORMAN SUSDAT
FDA SRS JE3FH53DP6
PubChem 67883