Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70968224

Structure

InChI Key CWHYTESDVACLIN-UHFFFAOYSA-N
Smiles ClC(C)C(O)CO
InChI
InChI=1/C4H9ClO2/c1-3(5)4(7)2-6/h3-4,6-7H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9ClO2
Molecular Weight 124.03
AlogP -0.03
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 40.46
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 53496-34-7
NORMAN SUSDAT
PubChem 103791