Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GK3KFF4TIW
EPA CompTox DTXSID70215922

Structure

InChI Key XOJUWOHYUFBSKE-UHFFFAOYSA-N
Smiles OC(=O)c1ccc(cc1O[P](O)(O)=O)C(F)(F)F
InChI
InChI=1S/C8H6F3O6P/c9-8(10,11)4-1-2-5(7(12)13)6(3-4)17-18(14,15)16/h1-3H,(H,12,13)(H2,14,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6F3O6P1
Molecular Weight 285.99
AlogP 1.88
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 104.06
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 65708-37-4
NORMAN SUSDAT
FDA SRS GK3KFF4TIW