16945 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 17 17 17 17 17 17 17 17 17 17 17 17 6 6 6 6 6 6 6 6 6 6 1 2 3 4 5 6 7 8 9 10 11 12 13 13 13 14 14 15 15 15 16 16 17 18 19 20 13 14 15 16 17 18 19 20 21 21 22 22 14 17 18 19 20 16 17 18 19 20 21 22 21 22 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 4.7052 4.1725 3.4337 2.7809 2.4815 5.2065 2.4026 5.3444 2 2.042 5.5368 5.5328 3.9459 3.9588 3.6585 3.6858 3.1797 4.4247 3.1982 4.4464 2.9188 4.7258 -0.4479 -2.4222 2.4222 -0.6227 1.3975 1.5925 -1.5636 -1.1246 -0.453 0.4227 0.6875 -0.488 0.2027 -1.4453 1.4478 -0.197 0.6816 0.9689 -0.9577 -0.6846 -0.0582 0.1024 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 567 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 000003710070000007800000000000000000000060C183060C00000000000000000000000000000802000000000C020000800000000000000000000000000000000000000000400002000000020100000000000000000000010080C00E80000000000000008800244001220009100048800200 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.0<SUP>2,6</SUP>.0<SUP>3,9</SUP>.0<SUP>4,8</SUP>]decane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,3,4,5,5,6,7,8,9,10,10-dodecakis(chloranyl)pentacyclo[5.3.0.02,6.03,9.04,8]decane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,3,4,5,5,6,7,8,9,10,10-dodecachloropentacyclo[5.3.0.02,6.03,9.04,8]decane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GVYLCNUFSHDAAW-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 545.617382 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C10Cl12 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 545.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C12(C3(C4(C5(C3(C(C1(C5(C2(C4(Cl)Cl)Cl)Cl)Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl 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 2021.10.14 539.626232 22 0 0 0 0 0 0 0 1 1