3385 1 2 3 4 5 6 7 8 9 10 11 12 9 8 8 7 7 6 6 6 6 1 1 1 1 2 3 4 4 4 5 5 5 6 8 9 8 6 7 6 7 10 7 9 11 8 9 12 1 2 2 1 1 1 1 1 1 1 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 2 2 5.4641 3.732 4.5981 2.866 4.5981 2.866 3.732 3.732 5.135 3.732 1.31 -0.69 -0.69 -0.69 0.81 -0.19 -0.19 0.81 1.31 -1.31 1.12 1.93 8 8 8 8 8 8 4 4 5 5 6 8 6 7 7 9 8 9 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 199 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037100633100000000000000000000000000000000000000200000000000000000000000001F00100000000800C18004010002C000008800015650008000000000000000800800408000000000000000000807220000C00000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 5-fluoro-1H-pyrimidine-2,4-dione IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 5-fluoro-1H-pyrimidine-2,4-dione IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 5-fluoro-1H-pyrimidine-2,4-dione IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 5-fluoranyl-1H-pyrimidine-2,4-dione IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 5-fluorouracil InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 GHASVSINZRGABV-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -0.9 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 130.017856 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C4H3FN2O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 130.077223 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1=C(C(=O)NC(=O)N1)F SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1=C(C(=O)NC(=O)N1)F Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 58.2 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 130.017856 9 0 0 0 0 0 0 0 1 9