Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C2EJ9H4G6R
EPA CompTox DTXSID6059942

Structure

InChI Key GDHXJNRAJRCGMX-UHFFFAOYSA-N
Smiles N#CC=1C=CC=CC1F
InChI
InChI=1/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4FN
Molecular Weight 121.03
AlogP 1.7
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 394-47-8
NORMAN SUSDAT
FDA SRS C2EJ9H4G6R
PubChem 67855