299 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 17 17 17 17 17 17 17 17 17 17 8 6 6 6 6 6 6 6 6 6 6 1 2 3 4 5 6 7 8 9 10 11 12 12 12 13 13 13 14 14 15 15 16 17 18 19 14 13 12 15 17 16 18 19 20 20 21 14 16 18 15 16 18 17 19 17 19 20 20 21 21 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12 3 14 16 18 3 1 13 2 15 16 18 3 1 14 1 12 17 19 3 1 15 4 13 17 19 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 3.4337 4.1725 2.7809 4.8067 2.4815 2.4026 5.3444 5.2065 2 2.042 5.7258 3.6858 3.9588 3.6585 3.9459 3.1982 3.1797 4.4464 4.4247 2.9188 4.7258 2.4222 -2.4222 -0.6227 -0.3062 1.3975 -1.5636 -1.1246 1.5925 -0.453 0.4227 0.0991 -0.197 -1.4453 1.4478 0.2027 -0.9577 0.6816 -0.6846 0.9689 -0.0582 0.1024 3 3 3 3 12 13 14 15 3 2 1 4 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 631 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 000003710070200007800000000000000000000060C183060C00000000000000000000000000000A02000000000C060080800000000000000800801000000000000000000000410002004000120100000000000000000000010888C08E80000000000000008800244001220009100048800200 InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 LHHGDZSESBACKH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 3.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 489.677541 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C10Cl10O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 490.6364 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 17.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 485.683441 21 4 0 4 0 0 0 0 1 1