62277 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 8 8 7 7 7 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 4 4 5 5 6 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 15 15 16 16 17 17 19 19 13 14 15 28 16 29 17 30 18 19 33 12 14 15 12 16 18 13 14 17 18 19 27 13 20 21 22 23 24 25 26 31 32 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12 8 9 13 20 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 5.5345 2.6867 3.5807 7.901 2.3644 5.6716 8.5247 4.4467 6.2068 3.9467 7.3658 5.2558 4.9467 3.6377 4.4467 6.95 3.359 6.4147 7.5737 5.8568 4.6588 5.0573 7.241 6.4614 3.9162 3.188 7.8265 3.5807 8.3618 2 6.9541 7.4874 8.6537 2.4264 0.3573 -1.4215 0.7174 2.3219 -1.29 -2.217 0.0785 0.3573 1.6174 -0.9299 0.6663 1.6174 0.6663 -0.9215 1.0264 2.4264 -0.6208 -1.908 1.2674 -1.5041 -0.8138 1.5739 1.4082 2.6982 3.0224 -0.515 -2.0415 1.1323 2.8235 -1.9296 -2.522 -2.8235 3 12 20 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 376 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 5 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C073B800000000000000000000000000000160000000000000000000000000000000001E00100800000000C18006010003C002000800011010000000000000000000808800018050000000201000000807220000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 1-[1,3-bis(hydroxymethyl)-2,5-dioxo-imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 1-[1,3-bis(hydroxymethyl)-2,5-dioxo-4-imidazolidinyl]-1,3-bis(hydroxymethyl)urea IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 1-[1,3-bis(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 1-[1,3-bis(hydroxymethyl)-2,5-bis(oxidanylidene)imidazolidin-4-yl]-1,3-bis(hydroxymethyl)urea IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 1-(2,5-diketo-1,3-dimethylol-imidazolidin-4-yl)-1,3-dimethylol-urea InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C8H14N4O7/c13-1-9-7(18)10(2-14)5-6(17)12(4-16)8(19)11(5)3-15/h5,13-16H,1-4H2,(H,9,18) InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 SOROIESOUPGGFO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -2.5 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 278.086249 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C8H14N4O7 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 278.21936 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(NC(=O)N(CO)C1C(=O)N(C(=O)N1CO)CO)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C(NC(=O)N(CO)C1C(=O)N(C(=O)N1CO)CO)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 154 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 278.086249 19 1 0 1 0 0 0 0 1 4