Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C28BKZ2J9A
EPA CompTox DTXSID7020425

Structure

InChI Key SVPKNMBRVBMTLB-UHFFFAOYSA-N
Smiles ClC1=C(Cl)C(=O)c2ccccc2C1=O
InChI
InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H4Cl2O2
Molecular Weight 225.96
AlogP 2.75
Hydrogen Bond Acceptor 2.0
Polar Surface Area 34.14
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 117-80-6
NORMAN SUSDAT
FDA SRS C28BKZ2J9A
PubChem 8342
ChemSpider 8039.0