Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10880239

Structure

InChI Key MWFKCAONPRJVKK-UHFFFAOYSA-N
Smiles FC1(F)OC2=C(C=C(C=C2)N=C=O)C(F)(F)O1
InChI
InChI=1S/C9H3F4NO3/c10-8(11)6-3-5(14-4-15)1-2-7(6)16-9(12,13)17-8/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H3F4N1O3
Molecular Weight 249.0
AlogP 2.66
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 47.89
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 26030-46-6
NORMAN SUSDAT
PubChem 2775207
ChemSpider 2055576.0