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

Structure

InChI Key OSFPUJNCRLXHDW-VPQDZJFTSA-N
Smiles ClC1[C@H]2C[C@H]3C1C(Cl)(C(=C2Cl)Cl)C(=C3Cl)Cl
InChI
InChI=1S/C10H6Cl6/c11-5-3-1-2-4(5)10(16,8(14)6(2)12)9(15)7(3)13/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 56534-03-3
NORMAN SUSDAT