633007 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 12 14 14 15 15 16 17 11 13 13 14 15 16 17 18 10 11 14 19 12 15 20 13 17 13 18 21 16 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 3 1 10 9 12 15 20 3 1 11 1 9 13 17 3 1 12 10 13 18 21 3 1 14 4 9 16 22 3 1 15 5 10 16 23 3 1 16 6 14 15 24 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 5.6622 5.5477 4.5296 3.7965 2.5958 2 7.8199 8.4448 4.5483 4.2062 5.921 6.1798 5.4432 3.7633 3.2129 2.9397 7.3199 7.5787 4.8638 4.101 6.5492 3.2207 2.6044 2.8639 -1.3367 2.5723 1.9845 -2.5723 0.7265 -1.3582 -1.7456 0.5863 -0.9628 -0.0231 -0.3708 0.5951 1.5777 -1.5728 -0.0604 -1.0162 -0.8796 0.0863 -1.4965 0.5879 1.0931 -1.8727 -0.1795 -1.6316 3 3 3 3 3 3 3 9 10 11 12 14 15 16 14 15 13 13 4 5 6 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 445 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 0000037180700000078000000000000000000000000183040000200000000000180000000000001802000000000D038000C00000000000008000004000000000002000000008400002080000020100000000000080000800030080C00E80000000000000000000000000000001100048800200 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,4,5,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,4,5,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,4,5,8,9,10,10-octachlorotricyclo[5.2.1.0<SUP>2,6</SUP>]dec-8-ene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,4,5,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,4,5,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,4,5,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H6Cl8/c11-4-1-2(5(12)7(4)14)9(16)8(15)6(13)3(1)10(9,17)18/h1-5,7H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UCLSMRUQRKTEHR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 409.791872 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H6Cl8 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 409.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C12C(C(C(C1Cl)Cl)Cl)C3(C(=C(C2C3(Cl)Cl)Cl)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C12C(C(C(C1Cl)Cl)Cl)C3(C(=C(C2C3(Cl)Cl)Cl)Cl)Cl 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 2021.10.14 405.797772 18 7 0 7 0 0 0 0 1 -1