Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 599XHU06GH
EPA CompTox DTXSID2045654

Structure

InChI Key QWZFVMCWPLMLTL-UHFFFAOYSA-N
Smiles N[P](N)(=O)NC(=O)c1ccc(F)cc1
InChI
InChI=1S/C7H9FN3O2P/c8-6-3-1-5(2-4-6)7(12)11-14(9,10)13/h1-4H,(H5,9,10,11,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9F1N3O2P1
Molecular Weight 217.04
AlogP 0.58
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 98.21
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 70788-28-2
NORMAN SUSDAT
FDA SRS 599XHU06GH