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

Structure

InChI Key DSJSQDNPAOUFOJ-UHFFFAOYSA-M
Smiles Cc1ccccc1[Mg]Cl
InChI
InChI=1/C7H7.ClH.Mg/c1-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q;;+1/p-1/rC7H7ClMg/c1-6-4-2-3-5-7(6)9-8/h2-5H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7ClMg
Molecular Weight 150.01
AlogP 1.48
Number of Rotational Bond 1.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 33872-80-9
NORMAN SUSDAT