7080 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 6 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 1 1 2 2 3 3 3 4 4 5 5 5 6 6 7 8 9 10 11 11 12 12 13 13 14 14 15 15 16 17 17 18 2 8 10 7 9 4 10 12 9 11 6 7 13 8 14 19 20 21 22 16 23 15 24 18 25 17 26 16 28 27 18 30 29 1 2 1 2 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 2 1 2 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 22 23 24 25 26 27 28 29 30 5.5321 5.5321 3.8 3.8 7.3321 7.3321 6.426 6.426 4.666 4.666 2.9061 2.9061 8.2632 8.2632 2 2 9.207 9.207 6.4188 6.4188 4.666 4.666 2.9132 2.9132 8.2561 8.2561 1.4643 1.4643 9.7427 9.7427 0.5 -0.5 0.5 -0.5 -0.5208 0.5208 -1.0347 1.0347 -1 1 -1.0347 1.0347 -1.0777 1.0777 0.5208 -0.5208 0.5425 -0.5425 -1.6546 1.6546 -1.62 1.62 -1.6546 1.6546 -1.6977 1.6977 -0.8329 0.8329 -0.8546 0.8546 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 1 2 2 3 3 3 4 4 5 5 5 6 6 11 12 13 14 15 17 2 8 10 7 9 4 10 12 9 11 6 7 13 8 14 16 15 18 17 16 18 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.04.04 236 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.04.04 0 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.04.04 0 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.04.04 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.04.04 00000371C07800000000000000000000000000000000000000003060C1800000000000C15400001800000000000C008018003000C00000008002204200000200002000000888000000880820228011108020002080000888070080C00EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.04.04 tetracene IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.04.04 tetracene IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.04.04 tetracene IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.04.04 tetracene IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.04.04 tetracene InChI Standard 1 1.0.3 InChI nist.gov 2011.04.04 InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H InChIKey Standard 1 1.0.3 InChI nist.gov 2011.04.04 IFLREYGFSNHWGE-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.04.04 5.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 228.0939 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 C18H12 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 228.28788 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.04.04 C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1 SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.04.04 C1=CC=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1 Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.04.04 0 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.04.04 228.0939 18 0 0 0 0 0 0 0 1 1