2952 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 27 28 29 30 31 32 33 8 8 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 4 -1 9 1 1 1 2 3 4 5 6 6 6 7 7 7 8 9 10 10 10 11 11 12 12 13 13 16 16 17 18 18 19 19 20 21 21 22 23 11 13 14 15 9 9 8 10 15 14 15 27 20 21 14 24 25 12 16 18 19 17 20 17 26 28 22 29 23 30 31 22 23 32 33 1 1 2 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 2 1 1 2 1 1 1 8 -1 6 20 13 31 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 27 28 29 30 31 32 33 4.7199 2 5.5202 6.3949 4.6629 4.2601 3.7601 4.8479 5.5289 3.2601 5.5289 5.5289 5.0289 2.9511 4.5691 6.3379 6.0289 4.6629 6.3949 4.4411 5.5289 4.6629 6.3949 2.6536 3.3249 6.9276 3.7601 6.3933 4.1259 6.9319 3.8245 4.1259 6.9319 -0.2768 4.4659 4.4659 -5.3646 -5.3646 3.2058 4.7446 2.3968 -4.8646 3.2058 -0.8646 -1.8646 0.6742 4.1569 4.1569 -0.2768 0.6742 -2.3646 -2.3646 1.4832 -3.8646 -3.3646 -3.3646 3.0769 2.5892 -0.4684 5.3646 1.1758 -2.0546 -2.0546 1.4184 -3.6746 -3.6746 8 8 1 8 8 8 8 8 8 8 8 8 1 1 8 11 12 12 13 16 18 19 21 21 11 13 20 16 18 19 17 17 22 23 22 23 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 524 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C073B80000000000000000000000000000016240000030000000000000000001C000001E001C0000000C0CC1980431C482D04440A902B57353049208002422003E8801AE6CDA8C66B284B5BB923920FCDF3308E98798D9F19E08000000000000001000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1-[[5-(4-nitrophenyl)-2-furyl]methyleneamino]imidazolidine-2,4-dione IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1-[[5-(4-nitrophenyl)-2-furanyl]methylideneamino]imidazolidine-2,4-dione IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1-[[5-(4-nitrophenyl)-2-furyl]methyleneamino]hydantoin InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C14H10N4O5/c19-13-8-17(14(20)16-13)15-7-11-5-6-12(23-11)9-1-3-10(4-2-9)18(21)22/h1-7H,8H2,(H,16,19,20) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 OZOMQRBLCMDCEG-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.7 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 314.065119 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C14H10N4O5 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 314.253 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 121 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 314.065119 23 0 0 0 1 0 1 0 1 5