931 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 6 6 6 6 6 6 6 6 6 6 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 10 2 3 5 4 6 7 11 8 12 10 14 9 13 8 15 16 10 18 17 1 2 1 2 1 1 1 1 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 3.732 3.732 2.866 2.866 4.626 4.626 2 2 5.5321 5.5321 2.866 2.866 4.6188 4.6188 1.4631 1.4631 6.0678 6.0678 -0.5 0.5 -1 1 -1.0347 1.0347 -0.5 0.5 0.5208 -0.5208 -1.62 1.62 1.6546 -1.6546 -0.81 0.81 -0.8329 0.8329 8 8 8 8 8 8 8 8 8 8 8 1 1 1 2 2 3 4 5 6 7 9 2 3 5 4 6 7 8 10 9 8 10 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 80.6 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 00000371C0700000000000000000000000000000000000000000306000000000000000C15000001800000000000C008018003000C00000008002204200000200002000000888000000880820228011108020002080000888070080800E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 naphthalene IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 naphthalene IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 naphthalene IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 naphthalene IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 naphthalene InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 UFWIBTONFRDIAS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 3.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 128.0626 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C10H8 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 128.17052 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C2C=CC=CC2=C1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=CC=C2C=CC=CC2=C1 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 2011.09.13 128.0626 10 0 0 0 0 0 0 0 1 1