Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50598801

Structure

InChI Key JHXMBKTYQFGDQM-UHFFFAOYSA-N
Smiles ClC1COC1
InChI
InChI=1S/C3H5ClO/c4-3-1-5-2-3/h3H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5Cl1O1
Molecular Weight 92.0
AlogP 0.62
Hydrogen Bond Acceptor 1.0
Polar Surface Area 9.23
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 4741-80-4
NORMAN SUSDAT
PubChem 19433434
ChemSpider 10178932.0