12767891 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 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 3 4 5 6 7 8 8 8 8 9 9 9 10 10 11 11 13 13 13 14 14 14 15 16 10 11 12 12 15 16 17 9 10 13 18 11 14 19 12 16 12 17 15 20 21 15 22 23 24 17 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 8 9 13 10 18 2 1 9 8 11 14 19 1 1 10 1 8 12 16 1 1 11 2 12 9 17 2 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 6.4386 5.5477 4.5296 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 4.839 3.9155 3.3641 4.1931 3.2549 2.6021 2.8639 -1.75 1.1477 2.159 1.5712 -1.7715 -2.159 0.173 -1.3761 -0.4364 -0.7841 0.1818 1.1644 -1.9861 -0.4737 -1.4295 -1.2929 -0.327 -2.1749 0.3623 -2.4605 -2.433 0.1449 -0.3669 -2.0449 5 5 5 6 8 9 10 11 18 19 1 2 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 394 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 0000037180700000070000000000000000000000000183040000200000000000180000000000001802000000000D038000C00000000000008000004000000000002000000008400002080000020100000000000080000800030080C00E80000000000000000000000000000001100048800200 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[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 (1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1<I>R</I>,2<I>R</I>,6<I>S</I>,7<I>S</I>)-1,4,7,8,9,10,10-heptachlorotricyclo[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 (1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (1R,2R,6S,7S)-1,4,7,8,9,10,10-heptakis(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 (1R,2R,6S,7S)-1,4,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H7Cl7/c11-3-1-4-5(2-3)9(15)7(13)6(12)8(4,14)10(9,16)17/h3-5H,1-2H2/t3?,4-,5+,8-,9+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CLTVIMPCWMHKFX-QTXMIJDDSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 373.833794 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H7Cl7 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 375.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C(CC2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1[C@@H]2[C@H](CC1Cl)[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 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 371.836744 17 4 4 0 0 0 0 0 1 1