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

Structure

InChI Key RIBJLXBLWQKWLO-UHFFFAOYSA-N
Smiles O=[Sb](c1ccccc1)(c2ccccc2)c3ccccc3
InChI
InChI=1/3C6H5.O.Sb/c3*1-2-4-6-5-3-1;;/h3*1-5H;;/rC18H15OSb/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H15OSb
Molecular Weight 368.02
AlogP 2.08
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 4756-75-6
NORMAN SUSDAT