Keyword(s): Human Metabolites
Molecule Category Free-form
UNII IQ92Z3552X
EPA CompTox DTXSID3025251

Structure

InChI Key VFEXYZINKMLLAK-UHFFFAOYNA-N
Smiles ClC(Cl)(Cl)C1CO1
InChI
InChI=1S/C3H3Cl3O/c4-3(5,6)2-1-7-2/h2H,1H2/t2-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3Cl3O1
Molecular Weight 159.92
AlogP 1.76
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.53
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3083-23-6
NORMAN SUSDAT
FDA SRS IQ92Z3552X
ChemSpider 17303.0