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

Structure

InChI Key ABFAUGNOBBCFOA-UHFFFAOYSA-N
Smiles CC1=CC=C(C=C1)[Sb](C1=CC=C(C)C=C1)C1=CC=C(C)C=C1
InChI
InChI=1S/3C7H7.Sb/c3*1-7-5-3-2-4-6-7;/h3*3-6H,1H3;

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H21Sb1
Molecular Weight 394.07
AlogP 5.2
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 5395-43-7
NORMAN SUSDAT