Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key OEZPPHLWIPFGIL-DUXPYHPUSA-N
Smiles O=CC=CC=1C=CC=C(Cl)C1CCl
InChI
InChI=1/C10H8Cl2O/c11-7-9-8(4-2-6-13)3-1-5-10(9)12/h1-6H,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H8Cl2O
Molecular Weight 214.0
AlogP 3.29
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 17.07
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 84682-30-4
NORMAN SUSDAT
PubChem 6365987