Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QIC740F43H

Structure

InChI Key KVGGQNNGLOIZSK-UHFFFAOYSA-N
Smiles Nc1cc(ccc1O)[As]=O
InChI
InChI=1/C6H6AsNO2/c8-5-3-4(7-10)1-2-6(5)9/h1-3,9H,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H6AsNO2
Molecular Weight 198.96
AlogP -0.35
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 63.32
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 306-12-7
NORMAN SUSDAT
FDA SRS QIC740F43H