5284469 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 17 6 6 6 6 6 6 6 6 6 6 1 1 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 15 16 16 17 17 18 18 9 11 12 12 13 14 16 17 10 12 13 15 16 17 12 14 15 14 19 20 18 23 24 21 22 25 26 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 1 1 9 1 10 12 13 3 1 11 2 12 14 15 3 1 13 5 9 14 19 3 1 14 6 11 13 20 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 4.9392 5.7156 3.8066 4.8247 3.2071 2 8.048 6.0118 5.198 7.0299 5.4568 4.7202 3.4659 2.9659 7.2888 7.9435 6.9254 8.1548 3.9578 2.9182 7.0754 7.5439 8.562 8.0935 8.6917 8.1548 -1.3574 1.5404 1.9638 2.5516 -2.3574 -0.2666 -2.5516 -2.5516 -0.3915 -1.1503 0.5744 1.557 -1.3915 -0.5255 -0.1844 -1.557 -2.1448 0.3156 -1.7689 0.0927 -2.7464 -2.1016 -1.6003 -0.9555 0.0056 0.9356 3 3 3 3 9 11 13 14 1 2 5 6 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 403 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0700000078000000000000000000000000183000000300000000000000000000000001802000000000E038000C00000000000008002004200000000002000000000400002080000020100000000000080000000010080C00F80000000000000000800244001220009100048800200 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1,4,5,6,7,7-hexachloro-2,2-bis(chloromethyl)-3-methylene-norbornane IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1,4,5,6,7,7-hexachloro-3,3-bis(chloromethyl)-2-methylenebicyclo[2.2.1]heptane IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1,4,5,6,7,7-hexachloro-3,3-bis(chloromethyl)-2-methylidenebicyclo[2.2.1]heptane IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1,4,5,6,7,7-hexakis(chloranyl)-3,3-bis(chloromethyl)-2-methylidene-bicyclo[2.2.1]heptane IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1,4,5,6,7,7-hexachloro-2,2-bis(chloromethyl)-3-methylene-norbornane InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(9,17)18/h5-6H,1-3H2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 OEJNXTAZZBRGDN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 4.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 411.807522 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H8Cl8 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 411.79452 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 407.813422 18 4 0 4 0 0 0 0 1 1