Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JAL3KV9I1O
EPA CompTox DTXSID0060141

Structure

InChI Key LEKJTGQWLAUGQA-UHFFFAOYSA-N
Smiles CC(=O)I
InChI
InChI=1/C2H3IO/c1-2(3)4/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H3IO
Molecular Weight 169.92
AlogP 0.97
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 4.0

Cross References

Resources Reference
CAS NUMBER 507-02-8
NORMAN SUSDAT
FDA SRS JAL3KV9I1O