70698660 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 9 8 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 6 6 7 8 8 10 10 11 12 12 13 14 14 15 9 6 8 11 7 9 16 11 13 7 10 12 9 13 14 17 18 15 19 20 15 21 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 2 1 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 7.0479 4.3958 3.5298 5.2619 2 4.3958 5.2619 3.5298 4.3958 4.3798 2.5836 6.1719 2.5836 5.2778 6.1799 5.7988 3.8393 2.391 6.7052 2.391 5.2754 2.2605 -2.2846 0.2154 -0.7846 -0.2846 0.7154 0.2154 -0.7846 -1.2846 1.7569 0.5201 0.7222 -1.0894 2.2846 1.7638 -1.0946 2.0606 1.1094 0.406 -1.6787 2.9046 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 5 5 6 6 7 8 8 10 12 14 6 8 11 7 9 11 13 7 10 12 9 13 14 15 15 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 286 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 1 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371807321000000000000000000000000000001600000003C4000000000000058B1C000001F00100000000808C1960C3DD097CC1000A8013577740082802D3712A009D801B874C888686AC0D9B1942088689402C8C8E71000000000000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 7-fluoro-5H-imidazo[1,5-a]quinoxalin-4-one IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 7-fluoro-5H-imidazo[1,5-a]quinoxalin-4-one IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 7-fluoro-5H-imidazo[1,5-a]quinoxalin-4-one IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 7-fluoranyl-5H-imidazo[1,5-a]quinoxalin-4-one IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 7-fluoro-5H-imidazo[1,5-a]quinoxalin-4-one InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C10H6FN3O/c11-6-1-2-8-7(3-6)13-10(15)9-4-12-5-14(8)9/h1-5H,(H,13,15) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 OEODIIDYUUWNCD-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 203.04949 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C10H6FN3O Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 203.172543 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C1=CC2=C(C=C1F)NC(=O)C3=CN=CN23 SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C1=CC2=C(C=C1F)NC(=O)C3=CN=CN23 Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 46.9 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 203.04949 15 0 0 0 0 0 0 0 1 2