Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JP9UVL6B6E
EPA CompTox DTXSID60187664

Structure

InChI Key IUOYQVWAOBUMLY-UHFFFAOYSA-N
Smiles O=C(NC(=S)N)C(F)(F)F
InChI
InChI=1/C3H3F3N2OS/c4-3(5,6)1(9)8-2(7)10/h(H3,7,8,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3F3N2OS
Molecular Weight 171.99
AlogP 1.37
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 3.0
Polar Surface Area 56.44
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 34067-44-2
NORMAN SUSDAT
FDA SRS JP9UVL6B6E