Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9924JQ4D5J

Structure

InChI Key HBQPGVWPSQGTJK-TWELXNIESA-N
Smiles CC1(C)C(=C)[C@]2(Cl)C(Cl)[C@@]1(Cl)C(Cl)(Cl)C2(Cl)Cl
InChI
InChI=1S/C10H9Cl7/c1-4-6(2,3)8(13)5(11)7(4,12)9(14,15)10(8,16)17/h5H,1H2,2-3H3/t5?,7-,8-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9Cl7
Molecular Weight 373.85
AlogP 5.51
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 8001-50-1
NORMAN SUSDAT
FDA SRS 9924JQ4D5J