Keyword(s): Human Metabolites
Molecule Category Free-form
UNII HNW5L47GP6
EPA CompTox DTXSID8058873

Structure

InChI Key VBQNYYXVDQUKIU-UHFFFAOYSA-N
Smiles Clc1cccc2c1C(=O)c1c(Cl)cccc1C2=O
InChI
InChI=1S/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H6Cl2O2
Molecular Weight 275.97
AlogP 3.77
Hydrogen Bond Acceptor 2.0
Polar Surface Area 34.14
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 82-43-9
NORMAN SUSDAT
FDA SRS HNW5L47GP6
PubChem 6708
ChemSpider 6452.0