Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID3045801

Structure

InChI Key BRLQWZUYTZBJKN-GSVOUGTGSA-N
Smiles ClC[C@@H]1CO1
InChI
InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5ClO
Molecular Weight 92.0
AlogP 0.62
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 12.53
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 67843-74-7
NORMAN SUSDAT
PubChem 149428