5311006 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 17 8 7 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 2 3 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 8 9 9 9 10 10 10 11 11 12 12 12 13 13 14 14 16 16 16 17 17 18 18 18 19 19 20 20 20 21 21 21 21 22 22 23 24 25 25 25 15 15 20 51 5 6 26 27 7 28 29 11 30 31 12 32 33 9 10 34 35 14 36 37 15 38 39 13 40 41 42 43 16 44 17 45 19 46 47 18 48 22 49 50 23 52 25 53 54 23 24 55 56 24 57 58 59 60 61 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 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 11 6 40 13 16 44 1 1 14 9 45 17 18 48 1 1 19 16 52 23 21 58 1 1 22 18 57 24 21 59 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 2 5.4641 4.5981 5.4641 4.5981 6.3301 3.732 7.1962 8.0622 6.3301 6.3301 2.866 7.1962 8.9282 5.4641 8.0622 9.7942 9.7942 8.9282 3.732 9.7942 10.6603 9.7942 10.6603 2.866 5.0656 5.8626 4.9966 4.1996 6.5422 6.9407 3.3335 4.1306 6.7976 7.5947 8.4607 7.6636 6.7287 5.9316 5.7932 3.176 2.3291 2.556 7.1962 8.9282 7.6636 8.4607 10.3312 9.5822 9.1836 4.5981 8.9282 3.3335 4.1306 9.1836 9.5822 11.1972 10.3312 11.1972 3.2646 2.4675 -2.31 -3.31 -1.81 0.69 1.19 1.19 0.69 -2.31 -1.81 -1.81 2.19 1.19 2.69 -2.31 -2.31 2.19 -1.81 -0.81 2.69 -2.31 1.19 -0.31 2.19 0.69 -1.81 0.2151 0.2151 1.665 1.665 0.6074 1.2977 0.2151 0.2151 -2.7849 -2.7849 -1.335 -1.335 -1.335 -1.335 2.5 1.7269 1.5 0.6531 3.31 -2.93 1.715 1.715 -2.12 -0.2274 -0.9177 -1.19 3.31 -2.7849 -2.7849 1.2977 0.6074 -0.62 2.5 1 -1.335 -1.335 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 410 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 16 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371F07A2000040000000000000000000000000000000000000000000000000000000000001E02100000000803C18044020002C000008800215210000000002000000808810800080000120081004400000096008800031800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,11Z,14Z)-N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,11Z,14Z)-N-(2-chloroethyl)eicosa-5,8,11,14-tetraenamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (5<I>Z</I>,8<I>Z</I>,11<I>Z</I>,14<I>Z</I>)-<I>N</I>-(2-chloroethyl)icosa-5,8,11,14-tetraenamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,11Z,14Z)-N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,11Z,14Z)-N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (5Z,8Z,11Z,14Z)-N-(2-chloroethyl)eicosa-5,8,11,14-tetraenamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15- InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 SCJNCDSAIRBRIA-DOFZRALJSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 6.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 365.2485425 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H36ClNO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.0 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 29.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 365.2485425 25 0 0 0 4 4 0 0 1 -1