Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HYR9NXU32Y
EPA CompTox DTXSID20190270

Structure

InChI Key LSGBKABSSSIRJF-UHFFFAOYSA-N
Smiles FC(F)(F)C=1N=C(N=C(N1)C(F)(F)F)C(F)(F)F
InChI
InChI=1/C6F9N3/c7-4(8,9)1-16-2(5(10,11)12)18-3(17-1)6(13,14)15

Physicochemical Descriptors

Property Name Value
Molecular Formula C6F9N3
Molecular Weight 284.99
AlogP 2.93
Hydrogen Bond Acceptor 3.0
Polar Surface Area 38.67
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 368-66-1
NORMAN SUSDAT
FDA SRS HYR9NXU32Y
PubChem 9715