Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S335V6MF9E
EPA CompTox DTXSID3058874

Structure

InChI Key MQIUMARJCOGCIM-UHFFFAOYSA-N
Smiles Clc1cccc2c1C(=O)c1cccc(Cl)c1C2=O
InChI
InChI=1S/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/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 82-46-2
NORMAN SUSDAT
FDA SRS S335V6MF9E
PubChem 6711
ChemSpider 6455.0