Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00988450

Structure

InChI Key GNXURBGECTYCRJ-UHFFFAOYSA-N
Smiles FC(F)(F)C1=NNC(=S)N1
InChI
InChI=1/C3H2F3N3S/c4-3(5,6)1-7-2(10)9-8-1/h(H2,7,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H2F3N3S
Molecular Weight 168.99
AlogP 1.11
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Polar Surface Area 41.57
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 68744-64-9
NORMAN SUSDAT