3102 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 8 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 2 2 3 3 3 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 14 4 4 5 7 4 6 8 9 15 10 16 11 17 12 18 13 19 14 20 13 21 14 22 23 24 2 1 2 1 1 2 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 2 2.866 3.732 2.866 2 4.5981 3.732 3.732 2 5.4641 3.732 4.5981 2.866 5.4641 1.4631 4.5981 4.269 3.1951 1.4631 6.001 4.269 4.5981 2.866 6.001 1 -0.5 1 0.5 -1 0.5 -1 2 -2 1 -2 2.5 -2.5 2 -0.69 -0.12 -0.69 2.31 -2.31 0.69 -2.31 3.12 -3.12 2.31 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 6 7 8 9 10 11 12 5 7 6 8 9 10 11 12 13 14 13 14 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 165 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 1 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0702000000000000000000000000000000000000000306000000000000000014000001A00000000000C048098003000800000008802A05200000200002400000888010000C80820328015108021002080000889870888C08E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 diphenylmethanone IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 diphenylmethanone IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 diphenylmethanone IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 diphenylmethanone IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 benzophenone InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 RWCCWEUUXYIKHB-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 2011.09.13 182.073165 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C13H10O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 182.2179 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)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)C2=CC=CC=C2 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 17.1 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 182.073165 14 0 0 0 0 0 0 0 1 1