23618134 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 17 18 12 13 14 14 15 16 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 17 10 22 2 1 16 6 11 17 23 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 6.4386 5.6622 5.5477 4.5296 2.5958 3.7965 2 8.4448 7.8199 4.2062 4.5483 6.1798 5.921 5.4432 3.2129 3.7633 2.9397 7.5787 7.3199 4.101 4.8638 2.6044 3.2207 2.8639 1.561 -1.3367 2.5723 1.9845 0.7265 -2.5723 -1.3582 0.5863 -1.7456 -0.0231 -0.9628 0.5951 -0.3708 1.5777 -0.0604 -1.5728 -1.0162 0.0863 -0.8796 0.5879 -1.4965 -0.1795 -1.8727 -1.6316 3 3 3 3 10 11 12 13 15 16 14 14 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 447 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180700000078000000000000000000000000183040000200000000000180000000000001802000000000D038000C00000000000008000004000000000002000000008400002080000020100000000000080000800030080C00E80000000000000000000000000000001100048800200 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (3R,5S)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (3R,5S)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (3<I>R</I>,5<I>S</I>)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.0<SUP>2,6</SUP>]dec-8-ene IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (3R,5S)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (3R,5S)-1,3,4,5,7,8,9,10,10-nonakis(chloranyl)tricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (3R,5S)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H/t1?,2?,3-,4+,5?,8?,9? InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OCHOKXCPKDPNQU-FATGEEAYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 443.752899 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H5Cl9 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 444.2 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C12C(C(C(C1Cl)Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 [C@H]1(C([C@@H](C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 439.758799 19 6 2 4 0 0 0 0 1 -1