Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AGJ7RV2D8P
EPA CompTox DTXSID80873153

Structure

InChI Key ORLOBEXOFQEWFQ-UHFFFAOYSA-N
Smiles C[As+](C)(C)CCO
InChI
InChI=1S/C5H14AsO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H14As1O1
Molecular Weight 165.03
AlogP 1.32
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 39895-81-3
NORMAN SUSDAT
FDA SRS AGJ7RV2D8P