Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 69M675B633
EPA CompTox DTXSID10170228

Structure

InChI Key FHPZOWOEILXXBD-UHFFFAOYSA-N
Smiles O=[Se](O[Se](=O)C1=CC=CC=C1)C1=CC=CC=C1
InChI
InChI=1S/C12H10O3Se2/c13-16(11-7-3-1-4-8-11)15-17(14)12-9-5-2-6-10-12/h1-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H10O3Se2
Molecular Weight 361.9
AlogP 0.65
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 43.37
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 17697-12-0
NORMAN SUSDAT
FDA SRS 69M675B633