Keyword(s): Human Metabolites
Molecule Category Free-form
UNII H6GN7Q4PCS
EPA CompTox DTXSID7064239

Structure

InChI Key LLMLNAVBOAMOEE-UHFFFAOYSA-N
Smiles Clc1cccc(C=O)c1Cl
InChI
InChI=1S/C7H4Cl2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4Cl2O1
Molecular Weight 173.96
AlogP 2.81
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 6334-18-5
NORMAN SUSDAT
FDA SRS H6GN7Q4PCS
PubChem 35745
ChemSpider 32881.0