54581984 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 8 8 8 7 7 7 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 2 2 3 4 4 5 5 6 6 6 7 7 8 9 9 10 11 11 12 13 14 15 15 16 17 17 18 18 19 19 20 20 21 22 23 24 24 24 13 21 14 22 23 7 9 8 10 12 23 30 8 11 15 10 13 14 12 25 16 17 18 16 26 27 19 28 20 29 21 31 22 32 33 34 24 35 36 37 1 1 1 1 2 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 2 2 2 1 1 1 1 1 1 2 1 2 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 9.9078 9.0987 2.8602 7.2622 7.2622 3.732 6.3961 6.3961 8.1282 8.1282 5.5022 4.5961 8.9942 8.9942 5.5022 4.5961 9.0987 9.9078 10.0769 10.5769 10.5769 10.0769 2.8641 2 5.5094 5.5094 4.0604 8.638 10.0367 3.7344 10.3291 11.1935 11.1935 10.3291 1.6879 1.4643 2.3121 -0.5933 1.9945 0.4725 -1 1 -1.0241 -0.5 0.5 -0.5 0.5 -1.0347 -0.5208 -1 1 1.0347 0.5208 -1.9945 0.5933 -2.2024 1.3364 -1.3364 2.2024 -0.5275 -1.0308 -1.6546 1.6546 0.8329 -2.4094 -0.0132 -1.6442 -2.7688 1.2716 -1.2716 2.7688 -0.4951 -1.3429 -1.5666 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 4 4 5 5 7 7 8 9 11 12 13 14 15 17 18 19 20 13 21 14 22 7 9 8 10 8 11 15 10 12 16 17 18 16 19 20 21 22 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 461 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B30000000000000000000000000000001224000003C4000000000000000B1FE00001E0010000000080CA1960232C4B2C81440A801AD72D404828824273220089821B67CD80E66FAC4F5FB973DA8E6D411D8E9C7DBD9A39000008000040000200001000008000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2,3-bis(2-furyl)quinoxalin-6-yl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2,3-bis(2-furanyl)-6-quinoxalinyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[2,3-bis(furan-2-yl)quinoxalin-6-yl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2,3-bis(furan-2-yl)quinoxalin-6-yl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[2,3-bis(2-furyl)quinoxalin-6-yl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C18H13N3O3/c1-11(22)19-12-6-7-13-14(10-12)21-18(16-5-3-9-24-16)17(20-13)15-4-2-8-23-15/h2-10H,1H3,(H,19,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WSVHHESJMVHQGF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 319.09569129 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C18H13N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 319.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CO3)C4=CC=CO4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(=O)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CO3)C4=CC=CO4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 81.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 319.09569129 24 0 0 0 0 0 0 0 1 -1