20377074 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 17 17 17 17 17 17 17 17 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 13 13 14 16 16 17 17 9 11 12 12 14 15 16 17 10 12 14 13 16 18 12 13 15 19 20 15 17 21 22 23 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 9 1 10 12 14 3 1 10 9 13 16 18 3 1 11 2 12 13 15 3 1 16 7 10 17 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 4.9553 5.7318 4.8409 3.8228 7.1131 7.7379 3.9924 2 5.2141 3.8414 5.473 4.7363 3.4994 6.6131 6.8719 3.4188 2.4226 3.222 3.3051 2.9136 3.1568 2.4766 1.8237 -1.1916 1.7062 2.7174 2.1296 -1.6005 0.7315 -2.5431 -2.7174 -0.2256 -0.8177 0.7403 1.7229 0.122 -0.7345 0.2315 -1.724 -1.8111 -0.7906 0.7108 -0.0812 -2.2859 -1.1935 -1.6506 3 3 3 3 9 10 11 16 12 13 12 7 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 391 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 0000037180700000078000000000000000000000000182000000200000000000000000000000001802000000000D038000C00000000000008000004000000000002000000008400002080000020100000000000080000800030080C00E80000000000000000000000000000001100048800200 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2,3,4,7,7-hexachloro-5-(1,2-dichloroethyl)bicyclo[2.2.1]hept-2-ene IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2,3,4,7,7-hexachloro-5-(1,2-dichloroethyl)bicyclo[2.2.1]hept-2-ene IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2,3,4,7,7-hexachloro-5-(1,2-dichloroethyl)bicyclo[2.2.1]hept-2-ene IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2,3,4,7,7-hexachloro-5-(1,2-dichloroethyl)bicyclo[2.2.1]hept-2-ene IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 5-[1,2-bis(chloranyl)ethyl]-1,2,3,4,7,7-hexakis(chloranyl)bicyclo[2.2.1]hept-2-ene IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1,2,3,4,7,7-hexachloro-5-(1,2-dichloroethyl)bicyclo[2.2.1]hept-2-ene InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C9H6Cl8/c10-2-4(11)3-1-7(14)5(12)6(13)8(3,15)9(7,16)17/h3-4H,1-2H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LIAJOCPBQSUISJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 397.791872 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C9H6Cl8 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 397.8 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(CCl)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(CCl)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 2021.05.07 393.797772 17 4 0 4 0 0 0 0 1 -1