Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MZN2628Y2Q
EPA CompTox DTXSID3073632

Structure

InChI Key DOZUTNBCPVUMPY-UHFFFAOYSA-N
Smiles ClC1=CC=C2C(OC3=CC=C(Cl)C=C23)=C1
InChI
InChI=1S/C12H6Cl2O/c13-7-2-4-11-10(5-7)9-3-1-8(14)6-12(9)15-11/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H6Cl2O1
Molecular Weight 235.98
AlogP 4.89
Hydrogen Bond Acceptor 1.0
Polar Surface Area 13.14
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 74992-98-6
NORMAN SUSDAT
FDA SRS MZN2628Y2Q