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

Structure

InChI Key SVGYVZYRIHEIML-VDNDHTCPSA-N
Smiles Cl[C@@H]1[C@@H]2C[C@@H]3[C@H]1C(=C(Cl)[C@]3(Cl)C(=C2Cl)Cl)Cl
InChI
InChI=1S/C10H6Cl6/c11-5-2-1-3-4(5)7(13)9(15)10(3,16)8(14)6(2)12/h2-5H,1H2/t2-,3+,4+,5+,10+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H6Cl6
Molecular Weight 335.86
AlogP 5.23
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 56641-38-4
NORMAN SUSDAT