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

Structure

InChI Key BJAJOYQGRSEFPS-UHFFFAOYSA-N
Smiles [Tl]C1=CC=CC1
InChI
InChI=1/C5H5.Tl/c1-2-4-5-3-1;/h1-3H,4H2;/rC5H5Tl/c6-5-3-1-2-4-5/h1-3H,4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H5Tl
Molecular Weight 270.01
AlogP 1.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 34822-90-7
NORMAN SUSDAT