73983 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 17 17 17 17 17 17 17 17 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 4 5 6 7 8 9 9 9 10 10 10 11 11 11 13 15 16 16 16 17 17 17 18 18 9 11 12 12 13 13 14 14 10 12 13 15 16 17 12 14 15 14 18 19 20 21 22 23 24 25 26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 9 1 10 12 13 3 1 11 2 12 14 15 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 4.4375 5.214 3.305 4.3231 2.449 3.5145 2 2.4968 4.6964 6.0953 4.9552 4.2186 3.3236 2.9816 6.3541 7.0088 5.9908 7.2201 6.7567 7.5752 7.261 5.3742 5.926 6.6074 7.7571 7.2201 -1.6506 1.2471 1.6706 2.2584 -1.7615 -2.2584 -0.5278 0.5376 -0.6847 -1.1935 0.2812 1.2638 -1.2767 -0.337 -0.2276 -1.6003 -2.188 0.2724 -2.1667 -1.8524 -1.0339 -2.1232 -2.8046 -2.2529 -0.0376 0.8924 3 3 9 11 12 12 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 451 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0700000078000000000000000000000000183000000300000000000000000000000001802000000000E028000800200000000008002004200000000002000000000400002080000020100000000000080000000010080C00F80000000000000000800244001220009100048800200 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,2,3,3,4,7,7-octachloro-5,5-dimethyl-6-methylene-norbornane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,2,3,3,4,7,7-octachloro-5,5-dimethyl-6-methylenebicyclo[2.2.1]heptane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,2,3,3,4,7,7-octachloro-5,5-dimethyl-6-methylidenebicyclo[2.2.1]heptane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,2,3,3,4,7,7-octachloro-5,5-dimethyl-6-methylidenebicyclo[2.2.1]heptane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,2,3,3,4,7,7-octakis(chloranyl)-5,5-dimethyl-6-methylidene-bicyclo[2.2.1]heptane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,2,3,3,4,7,7-octachloro-5,5-dimethyl-6-methylene-norbornane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H8Cl8/c1-4-5(2,3)7(12)8(13,14)6(4,11)9(15,16)10(7,17)18/h1H2,2-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 LVJGHULVGIFLAE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 411.807522 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H8Cl8 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 411.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C(=C)C2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)(Cl)Cl)Cl)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C(=C)C2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)(Cl)Cl)Cl)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 407.813422 18 2 0 2 0 0 0 0 1 -1