8651 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 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 16 5 6 5 7 9 6 8 10 6 11 17 12 18 13 19 14 20 15 21 16 22 15 23 16 24 25 26 2 2 1 2 1 1 2 1 1 1 1 1 1 2 1 2 1 2 1 2 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 23 24 25 26 2 4.5981 2.866 3.732 2.866 3.732 2 4.5981 3.732 2.866 2 4.5981 3.732 2.866 2.866 3.732 1.4631 5.135 4.269 2.3291 1.4631 5.135 4.269 2.3291 2.866 3.732 0.25 -0.25 -1.25 1.25 -0.25 0.25 -1.75 1.75 -1.75 1.75 -2.75 2.75 -2.75 2.75 -3.25 3.25 -1.44 1.44 -1.44 1.44 -3.06 3.06 -3.06 3.06 -3.87 3.87 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 7 8 9 10 11 12 13 14 7 9 8 10 11 12 13 14 15 16 15 16 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 230 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0703000000000000000000000000000000000000000306000000000000000014000001A00000000000C048098003000800000008802A05200000200002400000888010000C80820328015108021002080000889870888C08E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1,2-diphenylethane-1,2-dione IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1,2-diphenylethane-1,2-dione IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1,2-diphenylethane-1,2-dione IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1,2-diphenylethane-1,2-dione IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 benzil InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 WURBFLDFSFBTLW-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 3.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 210.06808 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C14H10O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 210.228 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 34.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 210.06808 16 0 0 0 0 0 0 0 1 1