Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key VRFSQVFSQAYHRU-AATRIKPKSA-N
Smiles O=[N+]([O-])C=CC1=CC=C(F)C=C1
InChI
InChI=1/C8H6FNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H7FNO2
Molecular Weight 167.04
AlogP 2.07
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 43.14
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 706-08-1
NORMAN SUSDAT
PubChem 5381680