3454639 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 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 3 4 5 6 7 8 8 8 9 9 9 10 10 10 11 12 14 15 15 15 16 16 16 17 17 8 10 11 12 12 13 13 9 11 12 14 15 16 11 13 14 18 13 17 19 20 21 22 23 24 25 26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 8 1 9 11 12 3 1 10 2 11 13 14 3 1 11 3 8 10 18 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 25 26 4.4375 5.214 3.7186 2.449 3.5145 2.4968 2 4.6964 6.0953 4.9552 4.2186 3.3236 2.9816 6.3541 7.0088 5.9908 7.2201 4.736 6.7567 7.5752 7.261 5.3742 5.926 6.6074 7.7571 7.2201 -1.5864 1.3114 2.1941 -1.6973 -2.1941 0.6018 -0.4636 -0.6205 -1.1293 0.3455 1.3281 -1.2125 -0.2728 -0.1634 -1.536 -2.1238 0.3366 1.6696 -2.1024 -1.7882 -0.9696 -2.059 -2.7404 -2.1886 0.0266 0.9566 3 3 3 8 10 11 1 2 3 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 413 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0700000070000000000000000000000000183000000300000000000000000000000001802000000000E038000C00200000000008002004200000000002000000000400002080000020100000000000080000000010080C00F80000000000000000800244001220009100048800200 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,2,3,3,4,7-heptachloro-5,5-dimethyl-6-methylene-norbornane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,2,3,3,4,7-heptachloro-5,5-dimethyl-6-methylenebicyclo[2.2.1]heptane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,2,3,3,4,7-heptachloro-5,5-dimethyl-6-methylidenebicyclo[2.2.1]heptane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,2,3,3,4,7-heptachloro-5,5-dimethyl-6-methylidenebicyclo[2.2.1]heptane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,2,3,3,4,7-heptakis(chloranyl)-5,5-dimethyl-6-methylidene-bicyclo[2.2.1]heptane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,2,3,3,4,7-heptachloro-5,5-dimethyl-6-methylene-norbornane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10H9Cl7/c1-4-6(2,3)8(13)5(11)7(4,12)9(14,15)10(8,16)17/h5H,1H2,2-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HBQPGVWPSQGTJK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 375.849444 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10H9Cl7 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 377.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C(=C)C2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1(C(=C)C2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 373.852394 17 3 0 3 0 0 0 0 1 -1