10469 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 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 8 8 6 6 6 6 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 80 28 4 5 29 30 6 31 32 7 33 34 8 35 36 9 37 38 10 39 40 11 41 42 12 43 44 13 45 46 14 47 48 15 49 50 16 51 52 17 53 54 18 55 56 19 57 58 20 59 60 21 61 62 22 63 64 23 65 66 24 67 68 25 69 70 26 71 72 27 73 74 28 75 76 77 78 79 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 2.5369 3.403 14.6613 13.7953 15.5273 12.9292 16.3933 12.0632 17.2594 11.1972 18.1254 10.3312 18.9914 9.4651 19.8574 8.5991 20.7235 7.7331 21.5895 6.8671 22.4555 6.001 23.3215 5.135 24.1876 4.269 25.0536 3.403 15.0598 14.2628 13.3967 14.1938 15.1288 15.9258 13.3278 12.5307 16.7919 15.9948 11.6647 12.4617 16.8608 17.6579 11.5957 10.7987 18.5239 17.7269 9.9326 10.7297 18.5929 19.3899 9.8637 9.0666 20.256 19.4589 8.2006 8.9976 20.3249 21.122 8.1316 7.3346 21.988 21.191 6.4685 7.2656 22.057 22.854 6.3996 5.6025 23.7201 22.923 4.7365 5.5335 23.789 24.5861 4.6675 3.8705 25.3636 25.5905 24.7436 2 0.75 -0.75 0.75 0.25 0.25 0.75 0.75 0.25 0.25 0.75 0.75 0.25 0.25 0.75 0.75 0.25 0.25 0.75 0.75 0.25 0.25 0.75 0.75 0.25 0.25 0.75 0.75 0.25 1.225 1.225 -0.2249 -0.2249 -0.2249 -0.2249 1.225 1.225 1.225 1.225 -0.2249 -0.2249 -0.2249 -0.2249 1.225 1.225 1.225 1.225 -0.2249 -0.2249 -0.2249 -0.2249 1.225 1.225 1.225 1.225 -0.2249 -0.2249 -0.2249 -0.2249 1.225 1.225 1.225 1.225 -0.2249 -0.2249 -0.2249 -0.2249 1.225 1.225 1.225 1.225 -0.2249 -0.2249 -0.2249 -0.2249 1.225 1.225 0.2131 1.06 1.2869 0.44 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 301 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 24 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371F0783000000000000000000000000000000000000000000000000000000000000000001A0000080000080080800002080000020008000090080000000000000000000100000000001200000000400004000000000188C8A08000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 hexacosanoic acid IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 hexacosanoic acid IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 hexacosanoic acid IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 hexacosanoic acid IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 cerotic acid InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 XMHIUKTWLZUKEX-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 11.8 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 396.396731 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C26H52O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 396.68988 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 37.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 396.396731 28 0 0 0 0 0 0 0 1 1