70619821 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 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 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 22 22 23 23 24 24 25 25 26 26 27 27 28 21 65 21 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 23 64 24 25 26 66 27 67 28 68 28 69 70 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 2 1 1 1 2 1 1 1 2 1 2 1 1 1 1 20 18 63 22 23 64 3 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 11.5263 12.3923 7.1962 7.1962 8.0622 6.3301 8.0622 6.3301 8.9282 5.4641 8.9282 5.4641 9.7942 4.5981 9.7942 4.5981 10.6603 3.732 10.6603 3.732 11.5263 2.866 2.866 3.732 2 3.732 2 2.866 6.9841 6.5856 7.4082 7.8067 8.2742 8.6728 6.1181 5.7196 7.8501 7.4516 6.5422 6.9407 9.1403 9.5388 5.252 4.8535 8.7162 8.3176 5.6762 6.0747 10.0063 10.4048 4.386 3.9875 9.5822 9.1836 4.8101 5.2087 10.8723 11.2708 3.52 3.1215 10.4482 10.0497 4.269 2.3291 12.0632 4.269 1.4631 4.269 1.4631 2.866 8.845 7.345 1.345 0.345 1.845 -0.155 2.845 -1.155 3.345 -1.655 4.345 -2.655 4.845 -3.155 5.845 -4.155 6.345 -4.655 7.345 -5.655 7.845 -6.155 -7.155 -7.655 -7.655 -8.655 -8.655 -9.155 1.9276 1.2373 -0.2376 0.4527 1.2624 1.9527 0.4276 -0.2627 3.4276 2.7373 -1.7376 -1.0473 2.7624 3.4527 -1.0724 -1.7627 4.9276 4.2373 -3.2376 -2.5473 4.2624 4.9527 -2.5724 -3.2627 6.4276 5.7373 -4.7376 -4.0473 5.7624 6.4527 -4.0724 -4.7627 7.9276 7.2373 -5.965 -5.845 9.155 -7.345 -7.345 -8.965 -8.965 -9.775 1 8 8 8 8 8 8 20 23 23 24 25 26 27 22 24 25 26 27 28 28 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 369 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 19 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371F0783000000000000000000000000000000000000000300000000000000000010000001A00000800000C00809800300880000200880220D2080002000020000008880100008808203280111080600024800008880788C8A08E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 20-phenylicos-19-enoic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 20-phenyl-19-eicosenoic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 20-phenylicos-19-enoic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 20-phenylicos-19-enoic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 20-phenylicos-19-enoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 20-phenyleicos-19-enoic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C26H42O2/c27-26(28)24-20-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-21-25-22-18-16-19-23-25/h16-19,21-23H,1-15,20,24H2,(H,27,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DZKLUHROWIYANK-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.05.07 10.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.318480578 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C26H42O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.6 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C=CCCCCCCCCCCCCCCCCCC(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C=CCCCCCCCCCCCCCCCCCC(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 37.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 386.318480578 28 0 0 0 1 0 1 0 1 -1