57503811 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 11 12 12 12 15 15 15 16 17 12 13 13 14 14 16 17 18 10 11 13 19 14 15 20 16 17 21 13 14 18 16 22 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 13 19 3 1 10 9 14 15 20 3 1 11 9 16 17 21 3 1 12 1 13 14 18 3 1 16 6 11 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 2.6707 5.2031 4.2509 2.0363 2 5.65 3.5259 2.7519 4.5622 3.7532 5.3713 3.2585 4.2526 2.9505 4.0622 5.0622 4.3716 3.5622 3.9723 3.2512 5.9609 4.127 3.4558 4.7808 -1.9544 -1.4569 -2.1462 0.2049 -0.5109 2.1462 0.9274 0.3931 -0.2016 0.3862 0.3862 -1.1454 -1.1462 -0.2002 1.3372 1.3372 0.3938 -0.1929 -0.3924 0.7499 0.1946 1.9538 1.4661 1.8896 3 3 3 3 3 9 10 11 12 16 13 15 17 13 6 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 455 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 0000037180700000078000000000000000000000000183000000200000000000100000000000001802000000000D038000C00000000000008000004000000000002000000008400002080000020100000000000080000800030080C00E80000000000000000000000000000001100048800200 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,2,3,5,9,9,10,10-octachlorotricyclo[5.2.1.04,8]dec-2-ene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,2,3,5,9,9,10,10-octachlorotricyclo[5.2.1.04,8]dec-2-ene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,2,3,5,9,9,10,10-octachlorotricyclo[5.2.1.0<SUP>4,8</SUP>]dec-2-ene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,2,3,5,9,9,10,10-octachlorotricyclo[5.2.1.04,8]dec-2-ene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,2,3,5,9,9,10,10-octakis(chloranyl)tricyclo[5.2.1.04,8]dec-2-ene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1,2,3,5,9,9,10,10-octachlorotricyclo[5.2.1.04,8]dec-2-ene InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H6Cl8/c11-3-1-2-5-4(3)6(12)7(13)8(14,9(2,15)16)10(5,17)18/h2-5H,1H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 JAPYTFFIWMLAJQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 5.3 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 C1C2C3C(C1Cl)C(=C(C(C2(Cl)Cl)(C3(Cl)Cl)Cl)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C2C3C(C1Cl)C(=C(C(C2(Cl)Cl)(C3(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 5 0 5 0 0 0 0 1 -1