54166762 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 9 9 8 7 7 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 2 3 4 4 4 5 5 6 6 7 8 8 9 9 11 11 12 12 13 15 15 15 16 17 17 18 18 19 19 20 20 21 13 14 10 6 10 22 7 8 7 9 11 10 12 13 23 14 24 16 25 14 16 17 18 26 19 27 20 28 21 29 21 30 31 1 1 2 1 1 1 1 2 1 2 2 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 2 1 2 1 1 1 1 12 8 25 16 15 26 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 2 2 7.2622 5.5301 5.5301 4.6641 4.6641 6.3961 3.7702 6.3961 3.7702 7.2622 2.8641 2.8641 8.1282 7.2622 8.9942 8.1282 9.8602 8.9942 9.8602 5.5301 3.7773 3.7773 7.7991 6.7252 8.9942 7.5913 10.3972 8.9942 10.3972 -2.2142 -0.1658 -2.19 -2.19 -0.19 -1.69 -0.69 -0.69 -2.2247 -1.69 -0.1553 -0.19 -1.7108 -0.6692 1.31 0.81 0.81 2.31 1.31 2.81 2.31 -2.81 -2.8446 0.4646 -0.5 1.12 0.19 2.62 1 3.43 2.62 8 8 8 8 8 8 8 8 8 8 1 8 8 8 8 8 8 8 4 4 5 5 6 6 7 8 9 11 12 13 15 15 17 18 19 20 6 10 7 8 7 9 11 10 13 14 16 14 17 18 19 20 21 21 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 457 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B2180000000000000000000000000000000000000306080000000000000814000001F00100000000C0881980830C082C00000A80325725400820000210200088801107498086022C09191942008609400C8C8071080000E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-difluoro-3-styryl-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-difluoro-3-(2-phenylethenyl)-1H-quinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-difluoro-3-(2-phenylethenyl)-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-difluoro-3-(2-phenylethenyl)-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-bis(fluoranyl)-3-(2-phenylethenyl)-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-difluoro-3-styryl-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H10F2N2O/c17-11-8-14-15(9-12(11)18)20-16(21)13(19-14)7-6-10-4-2-1-3-5-10/h1-9H,(H,20,21) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OSEDWTOQCPDLMC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.07611927 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H10F2N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.26 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C=CC2=NC3=CC(=C(C=C3NC2=O)F)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C=CC2=NC3=CC(=C(C=C3NC2=O)F)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 41.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.07611927 21 0 0 0 1 0 1 0 1 -1