Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H8R6YS3U8H
EPA CompTox DTXSID10189375

Structure

InChI Key SIZGSKQSWJIWFP-UHFFFAOYSA-N
Smiles Clc1cc2c(cc1)nc([nH]2)C(Cl)(Cl)Cl
InChI
InChI=1S/C8H4Cl4N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H4Cl4N2
Molecular Weight 267.91
AlogP 4.04
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 28.68
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 3584-66-5
NORMAN SUSDAT
FDA SRS H8R6YS3U8H
PubChem 77134
ChemSpider 69572.0