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

Structure

InChI Key UHOVQNZJYSORNB-MZWXYZOWSA-N
Smiles [2H]C1=C([2H])C([2H])=C([2H])C([2H])=C1[2H]
InChI
InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6
Molecular Weight 84.08
AlogP 1.69
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 1076-43-3
NORMAN SUSDAT