Keyword(s): Human Metabolites
Molecule Category Free-form
UNII V0S1XQ53TC
EPA CompTox DTXSID2048113

Structure

InChI Key ZOZUXFQYIYUIND-IMJSIDKUSA-N
Smiles Cl[C@H]1OCCO[C@@H]1Cl
InChI
InChI=1S/C4H6Cl2O2/c5-3-4(6)8-2-1-7-3/h3-4H,1-2H2/t3-,4-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6Cl2O2
Molecular Weight 155.97
AlogP 1.16
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 95-59-0
NORMAN SUSDAT
FDA SRS V0S1XQ53TC