Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 82J53PB93D
EPA CompTox DTXSID00215511

Structure

InChI Key WWJAZKZLSDRAIV-UHFFFAOYSA-N
Smiles O=C1OC(=O)C=2C(F)=CC=CC12
InChI
InChI=1/C8H3FO3/c9-5-3-1-2-4-6(5)8(11)12-7(4)10/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H3FO3
Molecular Weight 166.01
AlogP 1.14
Hydrogen Bond Acceptor 3.0
Polar Surface Area 43.37
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 652-39-1
NORMAN SUSDAT
FDA SRS 82J53PB93D
PubChem 69551