Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30195211

Structure

InChI Key OARNHESMASZJCO-GSVOUGTGSA-N
Smiles ClC1CCOC1=O
InChI
InChI=1S/C4H5ClO2/c5-3-1-2-7-4(3)6/h3H,1-2H2/t3-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5Cl1O2
Molecular Weight 120.0
AlogP 0.54
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 42411-55-2
NORMAN SUSDAT
PubChem 21117576
ChemSpider 91402.0