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

Structure

InChI Key LOKPKYSOCCPWIZ-UHFFFAOYSA-N
Smiles C[As](C)O[As](C)C
InChI
InChI=1S/C4H12As2O/c1-5(2)7-6(3)4/h1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H12As2O1
Molecular Weight 225.93
AlogP 1.51
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 503-80-0
NORMAN SUSDAT