1.0 2018-10-03 16:33:04 UTC 2020-04-22 15:54:23 UTC BMDB0063608 BMDB63608 endrin 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-Dimethanonaph[2,3-b]oxirene, 9ci Compd. 269 Compound 269 EN 57 Endrex Endricol Endrin 20 ec Endrin and metabolites Endrin isomer Endrin mixture Endrine ent 17251 Experimental insecticide 269 hexachloroepoxyoctahydro-endo, endo-Dimethanonaphthalene hexachloroepoxyoctahydro-endo,endo-Dimethanonaphthalene hexachloroepoxyoctahydro-endo,endo-Dimethanonapthalene Hexadrin Latka 269 Mendrin Nendrin Oktanex OMS 197 SD 3419 Illoxol Stardrin Stardrin 20 Endrin C12H8Cl6O 380.909 377.87063112 3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.1³,⁶.0²,⁷.0⁹,¹¹]tridec-4-ene endrin ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2 DFBKLUNHFCTMDC-UHFFFAOYSA-N belongs to the class of organic compounds known as monoterpenoids. Monoterpenoids are compounds containing a chain of two isoprene units. Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Monoterpenoids Alkyl chlorides Chloroalkenes Dialkyl ethers Epoxides Hydrocarbon derivatives Organochlorides Oxacyclic compounds Oxanes Oxepanes Vinyl chlorides Aliphatic heteropolycyclic compound Alkyl chloride Alkyl halide Chloroalkene Dialkyl ether Ether Haloalkene Hydrocarbon derivative Monoterpenoid Norbornane monoterpenoid Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxepane Oxirane Vinyl chloride Vinyl halide Aliphatic heteropolycyclic compounds Solid melting_point 226 - 230 °C water_solubility 0.00025 mg/mL at 25 °C logp 5.2 logp 4.98 ALOGPS logs -6.27 ALOGPS logp 3.95 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.1³,⁶.0²,⁷.0⁹,¹¹]tridec-4-ene ChemAxon average_mass 380.909 ChemAxon mono_mass 377.87063112 ChemAxon smiles ClC1=C(Cl)C2(Cl)C3C4CC(C5OC45)C3C1(Cl)C2(Cl)Cl ChemAxon formula C12H8Cl6O ChemAxon inchi InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2 ChemAxon inchikey DFBKLUNHFCTMDC-UHFFFAOYSA-N ChemAxon polar_surface_area 12.53 ChemAxon refractivity 78.01 ChemAxon polarizability 31.56 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 5 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::EiMs 213 Specdb::CMs 13747 Specdb::CMs 120370 Specdb::CMs 121355 Specdb::CMs 124183 Specdb::CMs 124277 Specdb::CMs 128482 Specdb::CMs 135714 Specdb::CMs 143448 Specdb::MsMs 103650 Specdb::MsMs 103651 Specdb::MsMs 103652 Specdb::MsMs 169752 Specdb::MsMs 169753 Specdb::MsMs 169754 Specdb::MsMs 2727128 Specdb::MsMs 2727129 Specdb::MsMs 2727130 Specdb::MsMs 2977838 Specdb::MsMs 2977839 Specdb::MsMs 2977840 2940 FDB003234 Endrin C00000723