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

Structure

InChI Key XDSSPSLGNGIIHP-VKHMYHEASA-N
Smiles C[Se]CC(C(=O)O)N
InChI
InChI=1S/C4H9NO2Se/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9NO2Se
Molecular Weight 182.98
AlogP -0.43
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 63.32
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 2574-71-2
NORMAN SUSDAT