Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9WUK5DS6YX
EPA CompTox DTXSID1061730

Structure

InChI Key PWKNBLFSJAVFAB-UHFFFAOYSA-N
Smiles [O-][N+](=O)c1ccccc1F
InChI
InChI=1S/C6H4FNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4F1N1O2
Molecular Weight 141.02
AlogP 1.73
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 43.14
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1493-27-2
NORMAN SUSDAT
FDA SRS 9WUK5DS6YX
PubChem 73895
ChemSpider 66528.0