81944 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 15 8 8 8 8 7 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 2 3 5 6 6 6 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 2 3 4 7 8 9 7 7 12 13 11 22 23 10 20 21 15 26 27 14 24 25 16 30 31 17 28 29 18 34 35 19 32 33 39 40 41 36 37 38 42 43 44 45 46 47 1 1 2 1 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 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 5.5 4.634 5 6 6.366 7.232 6.366 3.768 4 3.5 2.9019 8.0981 7.232 2.9019 2.5 8.9641 8.0981 2.0359 2 3.4174 4.1077 4.1665 3.3694 2.6899 2.2913 4.0826 3.3923 6.6215 7.02 8.4966 7.6996 1.9174 2.6077 3.114 3.5125 7.7881 8.635 8.4081 8.6541 9.501 9.2741 1.7259 1.499 2.3459 2.5369 1.69 1.4631 -0.299 -0.799 0.567 -1.1651 1.201 -0.299 0.201 -0.299 0.567 1.433 -0.799 0.201 -1.299 -1.799 1.433 -0.299 -1.799 -2.299 2.299 0.3549 -0.0436 0.1759 0.1759 -0.2164 -0.9067 1.6451 2.0436 -1.1914 -1.8816 0.6759 0.6759 1.221 0.8224 -2.3816 -1.6914 -2.336 -2.109 -1.2621 -0.836 -0.609 0.2379 -1.7621 -2.609 -2.836 2.609 2.836 1.989 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 278 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 0 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 11 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371E0723802000000000000000000000000000000000000000000000000000000000000001E08000020000800E180060200030001100840000010800000000000000000000800000000000000000000000406008000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 1-dibutoxyphosphoryl-N,N-diethyl-formamide IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 1-dibutoxyphosphoryl-N,N-diethylformamide IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 1-dibutoxyphosphoryl-N,N-diethylformamide IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 1-dibutoxyphosphoryl-N,N-diethyl-methanamide IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 1-dibutoxyphosphoryl-N,N-diethyl-formamide InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C13H28NO4P/c1-5-9-11-17-19(16,18-12-10-6-2)13(15)14(7-3)8-4/h5-12H2,1-4H3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 VIZPJAFCJKGFQB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 2.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 293.175595 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C13H28NO4P Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 293.339482 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CCCCOP(=O)(C(=O)N(CC)CC)OCCCC SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CCCCOP(=O)(C(=O)N(CC)CC)OCCCC Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 55.8 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 293.175595 19 0 0 0 0 0 0 0 1 1