Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R18732F41W

Structure

InChI Key ZHXAZZQXWJJBHA-UHFFFAOYSA-N
Smiles c1ccc(cc1)[Bi](c2ccccc2)c3ccccc3
InChI
InChI=1/3C6H5.Bi/c3*1-2-4-6-5-3-1;/h3*1-5H;/rC18H15Bi/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H15Bi
Molecular Weight 440.1
AlogP 2.2
Number of Rotational Bond 3.0
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 603-33-8
NORMAN SUSDAT
FDA SRS R18732F41W