Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U085TG80D1
EPA CompTox DTXSID3024362

Structure

InChI Key GRSQYISVQKPZCW-UHFFFAOYNA-N
Smiles CC(Cl)C(Cl)Cl
InChI
InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3/t2-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H5Cl3
Molecular Weight 145.95
AlogP 2.42
Number of Rotational Bond 1.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 598-77-6
NORMAN SUSDAT
FDA SRS U085TG80D1
ChemSpider 11240.0