23275328 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 17 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 2 3 4 5 6 7 8 9 10 10 10 10 11 11 11 12 12 13 13 15 15 16 16 16 18 12 13 14 14 15 17 17 18 19 11 12 15 20 13 16 21 14 18 14 19 17 22 17 23 24 19 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 10 11 12 15 20 3 1 11 10 13 16 21 3 1 12 1 10 14 18 3 1 13 2 11 14 19 3 1 15 5 10 17 22 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 5.6837 6.4602 5.5693 4.5512 3.8181 2 2.4021 7.8415 8.4663 4.5698 4.2278 5.9426 6.2014 5.4648 3.7849 3.2344 2.9613 7.3415 7.6003 4.8854 4.1226 4.3463 3.2764 2.6237 -1.3367 1.561 2.5723 1.9845 -2.5723 -0.7406 -1.8452 -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 -1.836 0.5582 0.0464 3 3 3 3 3 10 11 12 13 15 15 16 14 14 5 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 497 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 1,3,4,4,7,8,9,10,10-nonachlorotricyclo[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 1,3,4,4,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,4,4,7,8,9,10,10-nonachlorotricyclo[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 1,3,4,4,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,3,4,4,7,8,9,10,10-nonakis(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 1,3,4,4,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H5Cl9/c11-4-3-2(1-7(4,14)15)8(16)5(12)6(13)9(3,17)10(8,18)19/h2-4H,1H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AWLYPLBYTIJTBO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 443.752899 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H5Cl9 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 444.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C2C(C(C1(Cl)Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C2C(C(C1(Cl)Cl)Cl)C3(C(=C(C2(C3(Cl)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 2021.10.14 439.758799 19 5 0 5 0 0 0 0 1 -1