Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7Y0J6R63JD
EPA CompTox DTXSID3061423

Structure

InChI Key OCXGTPDKNBIOTF-UHFFFAOYSA-N
Smiles BrP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C18H15Br2P/c19-21(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 C18H15Br2P1
Molecular Weight 419.93
AlogP 5.14
Number of Rotational Bond 3.0
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 1034-39-5
NORMAN SUSDAT
FDA SRS 7Y0J6R63JD
PubChem 70579
ChemSpider 7349.0