Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JP2EN8WORU

Structure

InChI Key FUUFQLXAIUOWML-UHFFFAOYSA-N
Smiles O[As](=O)(O)c1ccc(cc1)[N+](=O)[O-]
InChI
InChI=1/C6H6AsNO5/c9-7(10,11)5-1-3-6(4-2-5)8(12)13/h1-4H,(H2,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6AsNO5
Molecular Weight 246.95
AlogP -0.84
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 100.67
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 98-72-6
NORMAN SUSDAT
FDA SRS JP2EN8WORU