Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID501001131

Structure

InChI Key KNKXPMHZNDQQHO-UHFFFAOYSA-N
Smiles O=C1C=2C=CC=CC2C(C3=CC=C(Cl)C(Cl)=C3)C1
InChI
InChI=1/C15H10Cl2O/c16-13-6-5-9(7-14(13)17)12-8-15(18)11-4-2-1-3-10(11)12/h1-7,12H,8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H10Cl2O
Molecular Weight 276.01
AlogP 4.71
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 80272-27-1
NORMAN SUSDAT
PubChem 3018924