3276 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 8 8 8 8 7 7 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 3 -1 8 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 9 9 9 11 11 11 13 13 14 14 15 10 14 25 8 8 9 12 13 10 11 20 12 15 12 10 16 17 14 18 19 15 21 22 23 24 2 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 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 25 2.866 2 7.1013 6.5661 4.5981 3.732 5.0981 6.3582 4.5981 3.732 2.866 5.4071 3.7891 2.866 4.0981 4.8101 5.2087 2.654 2.2554 4.269 3.1994 3.0781 3.4766 3.7336 2 0.7906 -2.7094 2.7385 1.0912 1.7906 -0.7094 3.3294 2.0694 0.7906 0.2906 -1.2094 2.3784 2.3784 -2.2094 3.3294 0.208 0.8982 -0.6268 -1.3171 -1.0194 2.1868 -2.792 -2.1018 3.831 -3.3294 8 8 8 8 8 5 5 7 7 13 12 13 12 15 15 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 242 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C063B800000000000000000000000000000160000000000000000000000000018000001E00140800000000E182062D9017DC5200A9001137770000802D1112A00940809830008258000008201000000816029000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-hydroxyethyl)-2-(2-nitro-1-imidazolyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C7H10N4O4/c12-4-2-8-6(13)5-10-3-1-9-7(10)11(14)15/h1,3,12H,2,4-5H2,(H,8,13) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 WCDWBPCFGJXFJZ-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 214.07020481 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C7H10N4O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 214.18 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCCO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCCO Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 113 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 214.07020481 15 0 0 0 0 0 0 0 1 -1