Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 31KW4S5FBB
EPA CompTox DTXSID6060975

Structure

InChI Key VMKJWLXVLHBJNK-UHFFFAOYSA-N
Smiles FC=1N=C(F)N=C(F)N1
InChI
InChI=1/C3F3N3/c4-1-7-2(5)9-3(6)8-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3F3N3
Molecular Weight 135.0
AlogP 0.29
Hydrogen Bond Acceptor 3.0
Polar Surface Area 38.67
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 675-14-9
NORMAN SUSDAT
FDA SRS 31KW4S5FBB
PubChem 12664