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

Structure

InChI Key CCYKQVBIPYDCKS-UHFFFAOYSA-N
Smiles CCCC[Hg]CCCC
InChI
InChI=1S/2C4H9.Hg/c2*1-3-4-2;/h2*1,3-4H2,2H3;

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18Hg1
Molecular Weight 316.11
AlogP 3.24
Number of Rotational Bond 2.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 629-35-6
NORMAN SUSDAT