Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AV96WW2LLK
EPA CompTox DTXSID00219039

Structure

InChI Key LOUZURPQCYZSJH-UHFFFAOYSA-N
Smiles ClCCP(=O)(Cl)Cl
InChI
InChI=1S/C2H4Cl3OP/c3-1-2-7(4,5)6/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H4Cl3O1P1
Molecular Weight 179.91
AlogP 2.9
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 690-12-0
NORMAN SUSDAT
FDA SRS AV96WW2LLK
PubChem 69645
ChemSpider 62846.0