57507835 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 14 14 14 15 16 17 10 11 12 12 13 15 16 9 10 13 18 11 14 19 12 16 12 17 15 20 15 21 22 23 17 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 8 9 10 13 18 3 1 9 8 11 14 19 3 1 10 1 8 12 16 3 1 11 2 9 12 17 3 1 13 5 8 15 20 3 1 15 6 13 14 23 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 5.6622 6.4386 5.5477 4.5296 3.7965 2 7.8199 4.5483 4.2062 5.921 6.1798 5.4432 3.7633 3.2129 2.9397 7.3199 7.5787 4.8638 4.101 3.2207 3.2549 2.6021 2.8639 8.1286 -1.3367 1.561 2.5723 1.9845 -2.5723 -1.3582 -1.7456 -0.9628 -0.0231 -0.3708 0.5951 1.5777 -1.5728 -0.0604 -1.0162 -0.8796 0.0863 -1.4965 0.5879 -1.8727 0.5582 0.0464 -1.6316 0.3726 3 3 3 3 3 3 8 9 10 11 13 15 13 14 12 12 5 6 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 419 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 0000037180700000070000000000000000000000000183040000200000000000180000000000001802000000000D038000C00000000000008000204200000000002000000008400002080000020100000000000080000800030080C00E80000000000000000000000000000001100048800200 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3,4,7,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3,4,7,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3,4,7,9,10,10-heptachlorotricyclo[5.2.1.0<SUP>2,6</SUP>]dec-8-ene IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3,4,7,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3,4,7,9,10,10-heptakis(chloranyl)tricyclo[5.2.1.02,6]dec-8-ene IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3,4,7,9,10,10-heptachlorotricyclo[5.2.1.02,6]dec-8-ene InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H7Cl7/c11-4-1-3-6(7(4)13)9(15)5(12)2-8(3,14)10(9,16)17/h2-4,6-7H,1H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KHIYUUKUDAFMRH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 373.833794 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H7Cl7 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 375.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C2C(C(C1Cl)Cl)C3(C(=CC2(C3(Cl)Cl)Cl)Cl)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1C2C(C(C1Cl)Cl)C3(C(=CC2(C3(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 2021.05.07 371.836744 17 6 0 6 0 0 0 0 1 -1