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

Structure

InChI Key WJYZNPLWZGYFIE-UHFFFAOYSA-N
Smiles Clc1cc2cc(Cl)c(Cl)c(Cl)c2c(Cl)c1Cl
InChI
InChI=1S/C10H2Cl6/c11-4-1-3-2-5(12)8(14)10(16)6(3)9(15)7(4)13/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H2Cl6
Molecular Weight 331.83
AlogP 6.76
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 17062-87-2
NORMAN SUSDAT