69503 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 27 28 29 30 8 6 6 6 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 1 1 2 2 2 3 3 4 4 5 6 6 7 7 8 8 9 9 10 10 11 12 12 13 14 14 15 15 16 16 17 17 18 5 3 4 7 5 6 8 9 10 11 19 12 20 11 21 13 22 14 15 23 13 24 25 16 26 17 27 18 28 18 29 30 2 1 1 2 1 2 1 2 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 2 1 2 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 27 28 29 30 5.4641 5.4641 4.5981 5.4641 4.5981 3.732 6.358 4.5981 6.358 3.732 3.732 7.2641 7.2641 2.866 3.732 2 2.866 2 3.1951 6.3509 4.5981 6.3509 3.1951 7.7998 7.7998 2.866 4.269 1.4631 2.866 1.4631 -1.0173 0.9827 0.4827 1.9827 -0.5173 0.9827 0.448 2.4827 2.5173 -1.0173 1.9827 0.9619 2.0035 -0.5173 -2.0173 -1.0173 -2.5173 -2.0173 0.6727 -0.172 3.1027 3.1373 2.2927 0.6498 2.3156 0.1027 -2.3273 -0.7073 -3.1373 -2.3273 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 4 4 6 7 8 9 10 10 12 14 15 16 17 3 4 7 6 8 9 11 12 11 13 14 15 13 16 17 18 18 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 290 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 00000371C07820000000000000000000000000000000000000003060C0000000000000C15400001A00000000000C048098003000C00000008802A05200000200002400000888010000C80820328015108021002080000889870888C08E80000200001000000000040000200000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1-naphthyl(phenyl)methanone IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1-naphthalenyl(phenyl)methanone IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 naphthalen-1-yl(phenyl)methanone IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 naphthalen-1-yl(phenyl)methanone IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1-naphthyl(phenyl)methanone InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C17H12O/c18-17(14-8-2-1-3-9-14)16-12-6-10-13-7-4-5-11-15(13)16/h1-12H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 CXAYOCVHDCXPAI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 4.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 232.088815 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C17H12O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 232.27658 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)C(=O)C2=CC=CC3=CC=CC=C32 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C(C=C1)C(=O)C2=CC=CC3=CC=CC=C32 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 2011.09.13 232.088815 18 0 0 0 0 0 0 0 1 1