Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SF5K94TPOF
EPA CompTox DTXSID0075316

Structure

InChI Key BDHNJKLLVSRGDK-UHFFFAOYSA-N
Smiles N#C[As](c1ccccc1)c2ccccc2
InChI
InChI=1/C13H10AsN/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H10AsN
Molecular Weight 255.0
AlogP 1.36
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 23.79
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 23525-22-6
NORMAN SUSDAT
FDA SRS SF5K94TPOF