Keyword(s): Human Metabolites
Molecule Category Free-form
UNII M74YU7SE79
EPA CompTox DTXSID2064997

Structure

InChI Key CASRSOJWLARCRX-UHFFFAOYSA-N
Smiles Clc1cc(C=O)cc(Cl)c1
InChI
InChI=1S/C7H4Cl2O/c8-6-1-5(4-10)2-7(9)3-6/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 10203-08-4
NORMAN SUSDAT
FDA SRS M74YU7SE79
PubChem 35746
ChemSpider 32882.0