Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SR5AXI8B1X
EPA CompTox DTXSID00212308

Structure

InChI Key YCAIYRWHKSJKEB-UHFFFAOYSA-N
Smiles ClCc1cc(ccc1)C(=O)Cl
InChI
InChI=1S/C8H6Cl2O/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6Cl2O1
Molecular Weight 187.98
AlogP 2.8
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 63024-77-1
NORMAN SUSDAT
FDA SRS SR5AXI8B1X
PubChem 2733324
ChemSpider 2015126.0