3140 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 8 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 1 1 1 -1 2 -1 9 1 10 1 1 2 3 4 5 6 7 7 8 8 9 10 11 11 12 13 13 14 15 16 17 9 10 9 10 17 18 11 17 12 18 13 14 12 15 16 14 15 16 19 20 18 1 1 2 2 2 2 2 1 2 1 1 1 1 1 1 1 2 2 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 2.866 2.866 2 2 8.1282 8.1282 6.358 6.358 2.866 2.866 5.4641 5.4641 3.732 3.732 4.5981 4.5981 7.2641 7.2641 4.5981 4.5981 2 -2 0.5 -0.5 1.0241 -1.0241 1.0347 -1.0347 1 -1 0.5 -0.5 0.5 -0.5 1 -1 0.5208 -0.5208 1.62 -1.62 8 8 8 8 8 8 11 11 12 13 13 14 12 15 16 14 15 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 571 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 000003710073B800000000000000000000000000000000000000204000000000000000800000001E00040000000808818000000002104000A90125725700800000200200200800B000180840000000000000000080000880020000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7-dinitroquinoxaline-2,3-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7-dinitroquinoxaline-2,3-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7-dinitroquinoxaline-2,3-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7-dinitroquinoxaline-2,3-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7-dinitroquinoxaline-2,3-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6,7-dinitroquinoxaline-2,3-quinone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C8H2N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YEUPBRRGMWBCEB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 249.99743380 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C8H2N4O6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 250.12 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 151 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 249.99743380 18 0 0 0 0 0 0 0 1 1