Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SIP6Y7N344
EPA CompTox DTXSID4041315

Structure

InChI Key DLOOKZXVYJHDIY-UHFFFAOYSA-N
Smiles Clc1cnc(Cl)c(Cl)c1Cl
InChI
InChI=1S/C5HCl4N/c6-2-1-10-5(9)4(8)3(2)7/h1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H1Cl4N1
Molecular Weight 214.89
AlogP 3.7
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2808-86-8
NORMAN SUSDAT
FDA SRS SIP6Y7N344
PubChem 76051
ChemSpider 68544.0