7002 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 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 3 3 4 4 5 5 6 6 7 7 8 9 9 9 10 10 11 2 3 4 5 7 6 9 10 12 8 13 8 14 11 15 16 17 18 19 11 20 21 1 1 2 1 2 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 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 3.732 3.732 2.866 4.626 2.866 2 4.626 2 2.866 5.5321 5.5321 4.6188 2.866 1.4631 4.6188 1.4631 2.246 2.866 3.486 6.0678 6.0678 -0.0173 0.9827 -0.5173 -0.552 1.4827 -0.0173 1.5173 0.9827 -1.5173 -0.0381 1.0035 -1.172 2.1027 -0.3273 2.1373 1.2927 -1.5173 -2.1373 -1.5173 -0.3502 1.3156 8 8 8 8 8 8 8 8 8 8 8 1 1 1 2 2 3 4 5 6 7 10 2 3 4 5 7 6 10 8 8 11 11 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 128 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 0 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0700000000000000000000000000000000000000000306000000000000000C15000001800000000000C008018003200C00000008002204200000200002000000888000000880820228011108020002080000888070080C00E80000200001000000000040000200000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1-methylnaphthalene IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1-methylnaphthalene IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1-methylnaphthalene IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1-methylnaphthalene IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1-methylnaphthalene InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 QPUYECUOLPXSFR-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 3.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 142.07825 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C11H10 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 142.1971 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC1=CC=CC2=CC=CC=C12 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CC1=CC=CC2=CC=CC=C12 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 142.07825 11 0 0 0 0 0 0 0 1 1