Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40993861

Structure

InChI Key BVVWAIYTJZYVGS-UHFFFAOYSA-N
Smiles ClC1=CC=C(C=C1)C2OC=3C=CC(Cl)=CC3C=C2
InChI
InChI=1/C15H10Cl2O/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14/h1-9,14H

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10Cl2O
Molecular Weight 276.01
AlogP 5.14
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 9.23
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 73110-92-6
NORMAN SUSDAT
PubChem 16205293