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

Structure

InChI Key GSNLXLNDMLYEEK-CWOZVJDESA-N
Smiles Cl[C@H]1C[C@H]2[C@H]3[C@H]1C(=C(Cl)[C@@]2(Cl)C(=C3Cl)Cl)Cl
InChI
InChI=1S/C10H6Cl6/c11-3-1-2-4-5(3)7(13)9(15)10(2,16)8(14)6(4)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 56534-02-2
NORMAN SUSDAT