Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TD88NAN7V8
EPA CompTox DTXSID00223636

Structure

InChI Key YNLBCLNFEOKEHA-UHFFFAOYSA-N
Smiles Brc1ccc(cc1)P(c1ccccc1)c1ccccc1
InChI
InChI=1S/C18H14BrP/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H14Br1P1
Molecular Weight 340.0
AlogP 4.21
Number of Rotational Bond 3.0
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 734-59-8
NORMAN SUSDAT
FDA SRS TD88NAN7V8
PubChem 69773
ChemSpider 62972.0