P-AZOBENZENEARSONATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AFL9LS9ZBF

Structure

InChI Key ITRMROGJSNWFKO-UHFFFAOYSA-N
Smiles O[As](O)(=O)C1=CC=C(C=C1)N=NC1=CC=C(C=C1)[As](O)(O)=O
InChI
InChI=1S/C12H12As2N2O6/c17-13(18,19)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(20,21)22/h1-8H,(H2,17,18,19)(H2,20,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H12As2N2O6
Molecular Weight 429.91
AlogP -0.78
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 139.78
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 7334-23-8
NORMAN SUSDAT
FDA SRS AFL9LS9ZBF
CONTENTS