Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40938535

Structure

InChI Key HMJQKIDUCWWIBW-PVQJCKRUSA-N
Smiles O=C(O)C(N)C(F)(F)F
InChI
InChI=1/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4F3NO2
Molecular Weight 143.02
AlogP -0.04
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 63.32
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 17463-43-3
NORMAN SUSDAT