54203683 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 10 10 11 11 12 12 13 13 14 14 14 15 16 16 17 9 10 15 15 17 17 18 18 10 11 15 13 14 12 17 13 16 19 20 16 21 22 18 23 24 18 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 9 1 10 11 15 3 1 10 2 9 13 14 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 4.9119 5.6837 3.2243 4.3992 3.1978 2.2727 2 2.4021 4.5698 5.9426 4.2278 6.2014 5.4648 7.3415 3.7849 7.6003 3.2344 2.9613 5.7825 4.8516 7.1466 7.9354 8.1943 7.7952 -1.491 -0.9252 -1.9893 -1.9503 1.3505 0.6251 -0.329 -1.4337 -0.5513 0.0408 0.3884 1.0067 1.9893 -0.4681 -1.1612 0.4979 0.3512 -0.6046 2.5217 2.0813 -1.0566 -0.6458 0.3201 1.0864 3 3 9 10 1 13 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 478 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 0000037180700000078000000000000000000000000183040000200000000000100000000000001802000000000C028000800000000000008002004000000000002000000008400002080000020100000000000080000800030080C00E80000000000000000000000000000000100040800200 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3,3,4,4,5,5,6,7-octachlorotricyclo[5.2.1.02,6]dec-1-ene IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3,3,4,4,5,5,6,7-octachlorotricyclo[5.2.1.02,6]dec-1-ene IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3,3,4,4,5,5,6,7-octachlorotricyclo[5.2.1.0<SUP>2,6</SUP>]dec-1-ene IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3,3,4,4,5,5,6,7-octachlorotricyclo[5.2.1.02,6]dec-1-ene IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3,3,4,4,5,5,6,7-octakis(chloranyl)tricyclo[5.2.1.02,6]dec-1-ene IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3,3,4,4,5,5,6,7-octachlorotricyclo[5.2.1.02,6]dec-1-ene InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H6Cl8/c11-6-2-1-4(3-6)5-7(6,12)9(15,16)10(17,18)8(5,13)14/h1-3H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PRAFIBVKYXKMGG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.4 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 2019.06.18 C10H6Cl8 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 409.8 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CC2(CC1=C3C2(C(C(C3(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CC2(CC1=C3C2(C(C(C3(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 2021.05.07 405.797772 18 2 0 2 0 0 0 0 1 -1