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

Structure

InChI Key NEIPZWZQHXCYDV-UHFFFAOYSA-N
Smiles OCC1COC(CI)O1
InChI
InChI=1S/C5H9IO3/c6-1-5-8-3-4(2-7)9-5/h4-5,7H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9I1O3
Molecular Weight 243.96
AlogP 0.16
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 38.69
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 61869-07-6
NORMAN SUSDAT