Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZX5A8WAC34
EPA CompTox DTXSID00176294

Structure

InChI Key AJVCEIPMQIRLFR-UHFFFAOYSA-N
Smiles C([As](c1ccccc1)c2ccccc2)[As](c3ccccc3)c4ccccc4
InChI
InChI=1/C25H22As2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H22As2
Molecular Weight 472.02
AlogP 3.14
Number of Rotational Bond 6.0
Heavy Atoms 27.0

Cross References

Resources Reference
CAS NUMBER 21892-63-7
NORMAN SUSDAT
FDA SRS ZX5A8WAC34