Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AT5H4XYT8P
EPA CompTox DTXSID40175084

Structure

InChI Key INICGXSKJYKEIV-UHFFFAOYSA-N
Smiles ClC1=C(Cl)C(Cl)=C(C#N)C(Cl)=C1Cl
InChI
InChI=1S/C7Cl5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10

Physicochemical Descriptors

Property Name Value
Molecular Formula C7Cl5N
Molecular Weight 272.85
AlogP 4.83
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 20925-85-3
NORMAN SUSDAT
FDA SRS AT5H4XYT8P
PubChem 30363
ChemSpider 28201.0