50935423 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 8 9 9 9 10 10 10 10 11 11 12 12 14 15 16 16 17 12 13 13 15 15 16 17 9 11 12 18 14 15 16 11 13 14 19 20 21 13 22 17 23 24 25 26 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 8 9 11 12 18 1 1 9 8 15 14 16 2 1 10 11 14 13 19 2 1 12 1 13 8 22 2 1 14 9 10 17 26 7 2 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 2.901 2 2.4968 7.1134 7.8178 5.0772 7.2201 4.6964 6.0953 4.9552 4.2186 3.3236 2.9816 6.3541 7.0088 5.9908 7.2201 4.4764 5.1752 4.5364 3.6054 3.7556 7.5752 6.1408 6.6092 7.7571 -1.5218 0.1333 1.1988 -1.9336 -0.3513 -1.9336 1.9336 -0.0235 -0.5323 0.9424 1.925 -0.6155 0.3242 0.4336 -0.9391 -1.5269 0.9336 -0.8446 1.7634 2.4574 2.017 -1.0603 -1.1912 -2.1284 -1.4836 0.6236 5 5 6 5 8 9 10 12 18 16 19 1 0 Compound Canonicalized 5 2011.01.31 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 351 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 00000371C0700000070000000000000000000000000183000000300000000000000000000000001802000000000F038000C00000000000008002004200000000002000000000400002080000020101000000000080000000010080C00F80000000000000000800044000220009100008800200 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S,3R,4R,5R,6E)-2,2,3-trichloro-5-(chloromethyl)-6-(chloromethylene)-5-(dichloromethyl)norbornane IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S,3R,4R,5R,6E)-2,2,3-trichloro-5-(chloromethyl)-6-(chloromethylidene)-5-(dichloromethyl)bicyclo[2.2.1]heptane IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (1<I>S</I>,3<I>R</I>,4<I>R</I>,5<I>R</I>,6<I>E</I>)-2,2,3-trichloro-5-(chloromethyl)-6-(chloromethylidene)-5-(dichloromethyl)bicyclo[2.2.1]heptane IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S,3R,4R,5R,6E)-2,2,3-trichloro-5-(chloromethyl)-6-(chloromethylidene)-5-(dichloromethyl)bicyclo[2.2.1]heptane IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (1R,2R,3E,4S,6R)-2-[bis(chloranyl)methyl]-5,5,6-tris(chloranyl)-3-(chloranylmethylidene)-2-(chloromethyl)bicyclo[2.2.1]heptane IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (1S,3R,4R,5R,6E)-2,2,3-trichloro-5-(chloromethyl)-6-(chloromethylene)-5-(dichloromethyl)norbornane InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H9Cl7/c11-2-6-4-1-5(7(13)10(4,16)17)9(6,3-12)8(14)15/h2,4-5,7-8H,1,3H2/b6-2+/t4-,5-,7+,9+/m0/s1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AVTXMUPUFATHLW-YZBPSSSQSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 375.849444 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H9Cl7 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 377.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C2C(C(C1C(=CCl)C2(CCl)C(Cl)Cl)(Cl)Cl)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1[C@H]2[C@H](C([C@@H]1/C(=C\Cl)/[C@]2(CCl)C(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 2021.05.07 373.852394 17 4 4 0 1 1 0 0 1 -1