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

Structure

InChI Key BUZKVHDUZDJKHI-UHFFFAOYSA-N
Smiles CCO[As](OCC)OCC
InChI
InChI=1/C6H15AsO3/c1-4-8-7(9-5-2)10-6-3/h4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15AsO3
Molecular Weight 210.02
AlogP 1.08
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 27.69
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 453607
NORMAN SUSDAT