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

Structure

InChI Key WEOCERHBAGGBBP-UHFFFAOYSA-N
Smiles O=C(O)C(O)CC[Se]C
InChI
InChI=1S/C5H10O3Se/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10O3Se1
Molecular Weight 197.98
AlogP -0.01
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 57.53
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 873660-49-2
NORMAN SUSDAT