19070626 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 10 11 11 11 12 12 12 13 13 14 15 17 18 9 14 14 15 15 16 16 17 10 11 14 12 15 19 13 17 20 13 18 21 22 23 16 16 18 24 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 1 9 1 10 11 14 3 1 10 9 12 15 19 3 1 11 9 13 17 20 3 1 12 10 13 18 21 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 3.2243 4.3992 3.1978 2.2727 2 2.4021 7.8415 4.5698 4.2278 5.9426 6.2014 5.4648 3.7849 3.2344 2.9613 7.3415 7.6003 4.1226 6.404 6.5707 5.7825 4.8516 8.1502 -1.491 -1.9893 -1.9503 1.3505 0.6251 -0.329 -1.4337 -1.3341 -0.5513 0.3884 0.0408 1.0067 1.9893 -1.1612 0.3512 -0.6046 -0.4681 0.4979 0.9994 0.4548 1.5047 2.5217 2.0813 0.7842 3 3 3 3 9 10 11 12 1 15 13 13 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 453 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 0000037180700000078000000000000000000000000183040000200000000000180000000000001802000000000D028000800000000000008000204200000000002000000008400002080000020101000000000080000800030080C00E80000000000000000000000000000001100048800200 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2,3,3,4,4,5,5,9-octachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2,3,3,4,4,5,5,9-octachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2,3,3,4,4,5,5,9-octachlorotricyclo[5.2.1.0<SUP>2,6</SUP>]dec-8-ene IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2,3,3,4,4,5,5,9-octachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2,3,3,4,4,5,5,9-octakis(chloranyl)tricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2,3,3,4,4,5,5,9-octachlorotricyclo[5.2.1.02,6]dec-8-ene InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H6Cl8/c11-5-2-3-1-4(5)7(12)6(3)8(13,14)10(17,18)9(7,15)16/h2-4,6H,1H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 NLZZOLREBNUFQK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.4 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 C1C2C=C(C1C3(C2C(C(C3(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1C2C=C(C1C3(C2C(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 4 0 4 0 0 0 0 1 -1