Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UWH6CPQ66G
EPA CompTox DTXSID40183487

Structure

InChI Key ORCGMGUNVGVHDN-UHFFFAOYSA-N
Smiles O=CC1=CC=C(F)C=C1[N+](=O)[O-]
InChI
InChI=1/C7H4FNO3/c8-6-2-1-5(4-10)7(3-6)9(11)12/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5FNO3
Molecular Weight 169.02
AlogP 1.55
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 60.21
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 2923-96-8
NORMAN SUSDAT
FDA SRS UWH6CPQ66G
PubChem 76226