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

Structure

InChI Key UFCZRCPQBWIXTR-UHFFFAOYSA-N
Smiles BrC1=CC=C2OC3=CC=C(Br)C=C3C2=C1
InChI
InChI=1S/C12H6Br2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H6Br2O1
Molecular Weight 323.88
AlogP 5.11
Hydrogen Bond Acceptor 1.0
Polar Surface Area 13.14
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 10016-52-1
NORMAN SUSDAT