3035 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 4 5 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 17 18 18 6 7 18 8 10 9 11 12 19 13 20 14 21 15 22 16 23 17 24 16 25 17 26 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 2 1 2 1 2 1 2 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 23 24 25 26 3.732 7.1962 2.866 2 3.732 3.732 4.5981 4.5981 5.4641 2.866 4.5981 4.5981 6.3301 2.866 5.4641 3.732 6.3301 2.866 5.135 5.4641 2.3291 4.0611 5.135 6.8671 2.3291 5.4641 -3 3 2.5 1 1 -0 1.5 -0.5 1 -0.5 2.5 -1.5 1.5 -1.5 3 -2 2.5 1.5 -0.19 0.38 -0.19 2.81 -1.81 1.19 -1.81 3.62 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 9 10 11 12 13 14 15 8 10 9 11 12 13 14 15 16 17 16 17 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 269 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0700000070000000000000000000000000000000000306000000000000000014000001802000000000C028018A03000800000008002204200000200002005000888000002880820228113108020002080000888070080C00E04000000000000000800000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)vinyl]benzene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2,2-bis(chloranyl)-1-(4-chlorophenyl)ethenyl]-4-chloranyl-benzene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)vinyl]benzene InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UCNVFOCBFJOQAL-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 317.935061 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H8Cl4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 318.0 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)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 2021.10.14 315.938011 18 0 0 0 0 0 0 0 1 -1