Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2FR2742AOL
EPA CompTox DTXSID2060838

Structure

InChI Key CQVWOJSAGPFDQL-UHFFFAOYSA-N
Smiles OCCCI
InChI
InChI=1S/C3H7IO/c4-2-1-3-5/h5H,1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7I1O1
Molecular Weight 185.95
AlogP 0.8
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 627-32-7
NORMAN SUSDAT
FDA SRS 2FR2742AOL
PubChem 69390
ChemSpider 62598.0