Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EWQ82FF28E
EPA CompTox DTXSID10181016

Structure

InChI Key IEAUXBMXWDAYID-UHFFFAOYSA-N
Smiles Clc1ccc(cc1)C(=C)c2ccc(Cl)cc2
InChI
InChI=1S/C14H10Cl2/c1-10(11-2-6-13(15)7-3-11)12-4-8-14(16)9-5-12/h2-9H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10Cl2
Molecular Weight 248.02
AlogP 5.05
Number of Rotational Bond 2.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 2642-81-1
NORMAN SUSDAT
FDA SRS EWQ82FF28E
PubChem 94775
ChemSpider 85511.0