45356268 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 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 2 3 4 5 6 7 8 9 9 9 9 10 10 10 11 11 12 12 14 14 14 15 15 15 17 11 12 13 13 16 16 17 18 10 11 14 19 12 15 20 13 17 13 18 16 21 22 16 23 24 18 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 9 10 11 14 19 1 1 10 9 15 12 20 2 1 11 1 13 9 17 2 1 12 2 10 13 18 1 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 4.7944 4.0179 4.9088 5.9269 8.076 8.4781 2.6366 2.0118 5.9083 6.2503 4.5356 4.2768 5.0134 6.6932 7.2437 7.5168 3.1366 2.8778 5.6175 6.541 7.0924 6.2634 7.2017 7.8544 -1.7002 1.1975 2.2088 1.621 -2.2088 -1.1041 -2.1092 0.2228 -1.3263 -0.3866 -0.7343 0.2316 1.2142 -1.9363 -0.4239 -1.3797 -1.2431 -0.2772 -2.1251 0.4121 -2.4107 -2.3832 0.1947 -0.3171 5 5 5 6 9 10 11 12 19 20 1 2 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 431 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0000037180700000078000000000000000000000000183040000200000000000180000000000001802000000000D028000800000000000008000004000000000002000000008400002080000020100000000000080000800030080C00E80000000000000000000000000000001100048800200 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1S,2S,6R,7R)-1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1S,2S,6R,7R)-1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1<I>S</I>,2<I>S</I>,6<I>R</I>,7<I>R</I>)-1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0<SUP>2,6</SUP>]dec-8-ene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1S,2S,6R,7R)-1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1S,2S,6R,7R)-1,4,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (1S,2S,6R,7R)-1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H6Cl8/c11-5-6(12)9(16)4-2-7(13,14)1-3(4)8(5,15)10(9,17)18/h3-4H,1-2H2/t3-,4+,8-,9+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 JBZJEPYXXVKOKF-GEZUEFPRSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 409.791872 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H6Cl8 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 409.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C2C(CC1(Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1[C@@H]2[C@H](CC1(Cl)Cl)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 405.797772 18 4 4 0 0 0 0 0 1 -1