Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4P7T2PH7DL
EPA CompTox DTXSID40174395

Structure

InChI Key LQCOCUQCZYAYQK-UHFFFAOYSA-N
Smiles Nc1ccccc1[As](=O)(O)O
InChI
InChI=1/C6H8AsNO3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H,8H2,(H2,9,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8AsNO3
Molecular Weight 216.97
AlogP -1.17
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 83.55
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2045-00-3
NORMAN SUSDAT
FDA SRS 4P7T2PH7DL