23354059 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 9 9 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 4 -1 8 1 1 2 3 4 5 6 6 6 7 7 8 9 9 10 11 11 12 14 14 15 15 16 18 18 19 19 20 20 21 21 22 16 17 13 8 8 9 13 23 10 11 12 10 14 12 13 15 16 17 24 18 19 17 20 25 21 26 22 27 22 28 29 1 1 2 1 2 1 1 1 1 2 1 1 2 2 1 1 1 1 1 2 1 2 1 1 2 1 2 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 2 2 7.2622 2.9215 4.6535 5.5301 5.5301 3.7817 4.6641 4.6641 6.3961 3.7702 6.3961 3.7702 7.2622 2.8641 2.8641 7.2622 8.1282 8.1282 8.9942 8.9942 5.5301 3.7773 6.7252 8.1282 8.1282 9.5312 9.5312 -0.5619 1.4864 1.4623 -2.0823 -2.0623 1.4623 -0.5377 -1.5723 0.9623 -0.0377 -0.0377 -0.5724 0.9623 1.497 -0.5377 -0.0585 0.9831 -1.5377 -0.0377 -2.0377 -0.5377 -1.5377 2.0823 2.1169 -1.8477 0.5823 -2.6577 -0.2277 -1.8477 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 9 9 10 11 12 14 15 15 16 18 19 20 21 9 13 10 11 10 14 12 13 16 17 18 19 17 20 21 22 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 502 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180733180000000000000000000000000000000000000306080000000000000814000001F00140000000C0881980830C082D04000A9032572570082000021020028880120749A0860B2C0D5D1942008609480C8C8071888808E00000000040000200000000008000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-difluoro-5-nitro-3-phenyl-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-difluoro-5-nitro-3-phenyl-1H-quinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-difluoro-5-nitro-3-phenyl-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-difluoro-5-nitro-3-phenyl-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-bis(fluoranyl)-5-nitro-3-phenyl-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-difluoro-5-nitro-3-phenyl-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C14H7F2N3O3/c15-8-6-9-12(13(10(8)16)19(21)22)18-11(14(20)17-9)7-4-2-1-3-5-7/h1-6H,(H,17,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IKCXLHDEQFKFBG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 303.04554742 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C14H7F2N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 303.22 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3NC2=O)F)F)[N+](=O)[O-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=NC3=C(C(=C(C=C3NC2=O)F)F)[N+](=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 87.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 303.04554742 22 0 0 0 0 0 0 0 1 -1