65712670 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 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 10 11 11 12 12 13 13 14 14 17 15 16 7 7 9 15 19 15 16 24 10 9 10 11 12 13 14 18 16 20 17 21 17 22 23 2 2 1 2 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 2 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 7.1962 5.4641 2 3.732 5.4641 6.3301 2.866 3.732 4.5981 2.866 3.732 4.5981 2 2.866 6.3301 5.4641 2 4.269 5.4641 4.0611 1.4631 2.866 1.4631 6.8671 -0.75 2.25 1.25 1.25 -0.75 0.75 0.75 -0.75 -0.25 -0.25 -1.75 0.75 -0.75 -2.25 -0.25 1.25 -1.75 -2.06 -1.37 1.06 -0.44 -2.87 -2.06 1.06 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 8 8 9 10 11 12 13 14 9 15 15 16 10 11 12 13 14 16 17 17 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 399 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 2 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 0000037180733800000000000000000000000000000000000000304000000000000000010000001E00140000000C0881980031C082D040008902255253008200002002002888000064CA88202280D19184200868952208C9471080000E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6-(2-nitrophenyl)-1H-pyrimidine-2,4-dione IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6-(2-nitrophenyl)-1H-pyrimidine-2,4-dione IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6-(2-nitrophenyl)-1<I>H</I>-pyrimidine-2,4-dione IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6-(2-nitrophenyl)-1H-pyrimidine-2,4-dione IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-(2-nitrophenyl)-1H-pyrimidine-2,4-dione IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 6-(2-nitrophenyl)uracil InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H7N3O4/c14-9-5-7(11-10(15)12-9)6-3-1-2-4-8(6)13(16)17/h1-5H,(H2,11,12,14,15) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CGFBZPAEHANARM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 233.04365571 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H7N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 233.18 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)C2=CC(=O)NC(=O)N2)[N+](=O)[O-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)C2=CC(=O)NC(=O)N2)[N+](=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 104 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 233.04365571 17 0 0 0 0 0 0 0 1 -1