ENDRIN ALDEHYDE

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Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID0047743

Structure

InChI Key HCTWZIFNBBCVGM-YFQUMFGZSA-N
Smiles [H][C@@]12[C@@]3([H])C[C@@H](C=O)[C@]4([H])[C@@]3([H])[C@@]3(Cl)[C@]1(Cl)[C@]2(Cl)[C@@]4(Cl)C3(Cl)Cl
InChI
InChI=1/C12H8Cl6O/c13-8-5-3(2-19)1-4-6(5)9(14,12(8,17)18)11(16)7(4)10(8,11)15/h2-7H,1H2/t3-,4-,5+,6-,7-,8+,9+,10+,11-/s2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H8Cl6O
Molecular Weight 377.87
AlogP 3.81
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 7421-93-4
NORMAN SUSDAT
CONTENTS