148754 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 17 17 17 17 8 8 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 2 3 4 5 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 14 15 16 7 8 17 17 14 15 8 9 14 10 15 11 12 18 11 13 19 20 21 13 22 23 16 16 17 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 7 1 8 9 14 3 1 8 2 7 10 15 3 1 9 7 11 12 18 3 1 10 8 11 13 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 22 23 4.6303 5.6563 2.5924 2 3.3619 4.5626 4.9723 5.3143 6.9458 6.687 6.2092 8.3448 8.086 3.9789 4.5294 3.7057 2.766 7.3152 7.1485 6.527 5.5961 8.8947 8.3723 1.4138 -1.4053 -1.8458 -0.2182 1.2238 -2.075 0.4741 -0.4656 1.0924 0.1265 2.075 0.5836 -0.3824 0.4369 -1.0756 -0.519 -0.861 1.5904 0.5405 2.6074 2.167 0.8699 -0.9323 3 3 3 3 7 8 9 10 1 2 11 11 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 482 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 0000037180703000070000000000000000000000000183040000200000000000180000000000001A02000000000D068080800000000000008802A05200000000002000000808410002484000120901000000000080000800030988C08E80000000000000000000000000000001100008800200 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-dichloro-4-(dichloromethylene)tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-dichloro-4-(dichloromethylidene)tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-dichloro-4-(dichloromethylidene)tricyclo[5.2.1.0<SUP>2,6</SUP>]dec-8-ene-3,5-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-dichloro-4-(dichloromethylidene)tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[bis(chloranyl)methylidene]-2,6-bis(chloranyl)tricyclo[5.2.1.02,6]dec-8-ene-3,5-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,6-dichloro-4-(dichloromethylene)tricyclo[5.2.1.02,6]dec-8-ene-3,5-quinone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C11H6Cl4O2/c12-9(13)6-7(16)10(14)4-1-2-5(3-4)11(10,15)8(6)17/h1-2,4-5H,3H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RYXGAWJESREXQK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 311.909240 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C11H6Cl4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 312.0 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C2C=CC1C3(C2(C(=O)C(=C(Cl)Cl)C3=O)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C2C=CC1C3(C2(C(=O)C(=C(Cl)Cl)C3=O)Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 34.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 309.912190 17 4 0 4 0 0 0 0 1 1