26124 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 16 15 8 8 8 7 7 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 2 2 2 3 4 5 6 6 7 7 8 8 9 10 11 11 11 12 12 12 13 13 14 14 15 16 16 17 18 18 18 19 19 19 2 3 4 5 10 12 11 8 10 9 15 9 13 14 15 19 22 23 18 20 21 16 24 17 25 26 17 27 34 28 29 30 31 32 33 2 1 1 1 1 1 1 1 2 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 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 5.0981 4.5981 5.4641 3.732 4.0981 7.1962 7.1962 8.0622 8.0622 6.3301 4.5981 2.866 8.9561 8.9561 6.3301 9.8622 9.8622 2 4.0981 2.4675 3.2646 5.073 5.073 8.949 8.949 5.7932 10.3979 2.31 1.4631 1.69 3.5611 3.7881 4.635 10.3979 1.3977 0.5317 0.0317 1.0317 -0.3343 0.0317 2.0317 0.5317 1.5317 0.5317 -1.2003 0.5317 -0.003 2.0664 1.5317 0.5109 1.5525 1.0317 -2.0664 0.0568 0.0568 -1.5989 -0.8018 -0.6229 2.6863 1.8417 0.1988 1.5686 1.3417 0.4948 -1.7564 -2.6033 -2.3764 1.8646 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 8 9 10 13 14 16 8 10 9 15 9 13 14 15 16 17 17 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 322 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 6 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C07330024000000000000000000000000000000000003C4000000000000000B1F000001E00000020000808E196063EC4B2081110A0013467440482802431522008D8203B74980A60E2C09191942008608000D8C8071000000000000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 diethoxy-quinoxalin-2-yloxy-thioxo-$l^{5}-phosphane IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 diethoxy-(2-quinoxalinyloxy)-sulfanylidenephosphorane IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 diethoxy-quinoxalin-2-yloxy-sulfanylidene-$l^{5}-phosphane IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 diethoxy-quinoxalin-2-yloxy-sulfanylidene-$l^{5}-phosphane IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 diethoxy-quinoxalin-2-yloxy-thioxo-phosphorane InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 JYQUHIFYBATCCY-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 4.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 298.0541 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C12H15N2O3PS Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 298.297862 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1 SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1 Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 85.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 298.0541 19 0 0 0 0 0 0 0 1 1