23275018 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 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 1 1 2 3 4 5 6 7 8 9 9 9 9 10 10 10 11 11 11 11 12 12 13 13 15 16 17 18 13 14 14 16 16 17 17 18 10 12 13 19 15 16 17 12 14 15 20 21 22 14 23 18 24 25 26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 9 10 12 13 19 3 1 11 12 14 15 20 3 1 13 1 9 14 23 3 1 15 10 11 18 26 8 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 25 26 2.901 2 2.4968 7.5966 7.8178 5.0772 6.3975 7.2201 4.6964 6.0953 4.9552 4.2186 3.3236 2.9816 6.3541 7.0088 5.9908 7.2201 4.7144 4.9411 4.5364 3.6054 3.7556 6.6187 6.6031 7.7571 -1.2684 0.3868 1.4522 -1.4947 -0.0979 -1.6802 -2.187 2.187 0.2299 -0.2789 1.1958 2.1784 -0.3621 0.5776 0.687 -0.6857 -1.2734 1.187 -0.3898 0.576 2.7108 2.2704 -0.8069 -1.1675 -1.1765 0.877 3 3 3 9 11 13 12 12 1 0 Compound Canonicalized 5 2010.07.16 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 366 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0700000078000000000000000000000000183000000300000000000000000000000001802000000000F038000C00000000000008002004200000000002000000000400002080000020101000000000080000000010080C00F80000000000000000800044000220009100008800200 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-2,2,3-trichloro-6-(chloromethylene)-5,5-bis(dichloromethyl)norbornane IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-2,2,3-trichloro-6-(chloromethylidene)-5,5-bis(dichloromethyl)bicyclo[2.2.1]heptane IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (6<I>E</I>)-2,2,3-trichloro-6-(chloromethylidene)-5,5-bis(dichloromethyl)bicyclo[2.2.1]heptane IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-2,2,3-trichloro-6-(chloromethylidene)-5,5-bis(dichloromethyl)bicyclo[2.2.1]heptane IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (3E)-2,2-bis[bis(chloranyl)methyl]-5,5,6-tris(chloranyl)-3-(chloranylmethylidene)bicyclo[2.2.1]heptane IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (6E)-2,2,3-trichloro-6-(chloromethylene)-5,5-bis(dichloromethyl)norbornane InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H8Cl8/c11-2-5-3-1-4(6(12)10(3,17)18)9(5,7(13)14)8(15)16/h2-4,6-8H,1H2/b5-2+ InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HIUJWLIHFYIYJC-GORDUTHDSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 411.807522 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H8Cl8 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 411.8 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C2C(C(C1C(=CCl)C2(C(Cl)Cl)C(Cl)Cl)(Cl)Cl)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1C2C(C(C1/C(=C\Cl)/C2(C(Cl)Cl)C(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 2021.05.07 407.813422 18 3 0 3 1 1 0 0 1 -1