53495258 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 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 3 -1 7 1 1 2 3 4 5 5 5 6 6 6 7 8 8 8 9 9 9 10 10 12 12 13 13 15 15 16 16 11 14 7 7 8 14 21 11 14 24 17 9 10 18 11 19 20 12 13 15 22 16 23 17 25 17 26 2 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 8 5 9 10 18 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 7.1962 8.9282 2 2.866 7.1962 8.0622 2.866 6.3301 6.3301 5.4641 7.1962 4.5981 5.4641 8.0622 3.732 4.5981 3.732 5.7932 6.1181 5.7196 7.1962 4.5981 6.001 8.5991 3.1951 4.5981 2.75 -0.25 -1.25 -2.75 -0.25 1.25 -1.75 0.25 1.25 -0.25 1.75 0.25 -1.25 0.25 -0.25 -1.75 -1.25 0.56 1.8326 1.1423 -0.87 0.87 -1.56 1.56 0.06 -2.37 3 8 8 8 8 8 8 8 10 10 12 13 15 16 10 12 13 15 16 17 17 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 344 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07338000000000000000000000000000000000000003C4000000000000000010000001E00140000000C28C1980431C082D0400089022552530082000020020028888108648A88203A80D19184200868972208C8071888808E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-nitrophenyl)hexahydropyrimidine-2,4-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-nitrophenyl)-1,3-diazinane-2,4-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-nitrophenyl)-1,3-diazinane-2,4-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-nitrophenyl)-1,3-diazinane-2,4-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-nitrophenyl)-1,3-diazinane-2,4-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-(4-nitrophenyl)-5,6-dihydrouracil InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C10H9N3O4/c14-9-5-8(11-10(15)12-9)6-1-3-7(4-2-6)13(16)17/h1-4,8H,5H2,(H2,11,12,14,15) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FSXHKMXHONDDAB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 235.05930578 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C10H9N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 235.20 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(NC(=O)NC1=O)C2=CC=C(C=C2)[N+](=O)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1C(NC(=O)NC1=O)C2=CC=C(C=C2)[N+](=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 104 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 235.05930578 17 1 0 1 0 0 0 0 1 -1