Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6E7F47EK4J
EPA CompTox DTXSID40196239

Structure

InChI Key QQURWFRNETXFTN-UHFFFAOYSA-N
Smiles O=[N+]([O-])C1=CC=C(F)C=C1O
InChI
InChI=1/C6H4FNO3/c7-4-1-2-5(8(10)11)6(9)3-4/h1-3,9H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5FNO3
Molecular Weight 157.02
AlogP 1.44
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 63.37
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 446-36-6
NORMAN SUSDAT
FDA SRS 6E7F47EK4J
PubChem 9937