Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 492G3V5N2N
EPA CompTox DTXSID80202787

Structure

InChI Key OAKWMQGNBGGJGT-UHFFFAOYSA-N
Smiles O[As](=O)(O)c1ccc(Cl)cc1
InChI
InChI=1/C6H6AsClO3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H,(H2,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6AsClO3
Molecular Weight 235.92
AlogP -0.1
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 57.53
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 5440-04-0
NORMAN SUSDAT
FDA SRS 492G3V5N2N