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

Structure

InChI Key LZHICUSBBXKVSP-UHFFFAOYSA-K
Smiles [Fe+3].C[As](C)([O-])=O.C[As](C)([O-])=O.C[As](C)([O-])=O
InChI
InChI=1/3C2H7AsO2.Fe/c3*1-3(2,4)5;/h3*1-2H3,(H,4,5);/q;;;+3/p-3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H7AsO2.1/3Fe
Molecular Weight 466.81
AlogP -1.57
Hydrogen Bond Acceptor 6.0
Polar Surface Area 120.39
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 5968-84-3
NORMAN SUSDAT