23009 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 8 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 -1 7 1 1 1 2 3 4 4 4 5 5 5 6 6 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 15 16 12 13 7 7 8 9 10 11 14 15 15 16 14 11 17 18 12 19 20 13 21 22 23 24 25 26 27 28 16 29 30 1 1 1 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 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 25 26 27 28 29 30 5.3692 2 2.5352 5.3692 4.5032 5.0032 2.7431 5.3692 6.2353 4.5032 4.5032 6.2353 4.5032 3.6942 5.3122 4.0032 5.5813 5.9798 6.4473 6.8458 3.8926 4.2912 4.2912 3.8926 6.8458 6.4473 4.2912 3.8926 5.9019 3.6388 3.0194 -2.4285 -0.7812 1.0194 -1.4806 -3.0194 -1.7594 0.0194 1.5194 1.5194 -0.4806 2.5194 2.5194 -2.0684 -2.0684 -3.0194 -0.5632 0.1271 0.9368 1.6271 1.6271 0.9368 0.102 -0.5882 2.4118 3.102 3.102 2.4118 -1.8768 -3.521 8 8 8 8 8 5 5 6 6 14 14 15 15 16 16 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 239 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C073B0000000000000000000000000000001600000002C0000000000000000018000001E00040000000000E182062DB0171C5400A1001227670000802D1112A02140001830028248000008001300000800829000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(5-nitro-1-imidazolyl)ethyl]morpholine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-[2-(5-nitroimidazol-1-yl)ethyl]morpholine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C9H14N4O3/c14-13(15)9-7-10-8-12(9)2-1-11-3-5-16-6-4-11/h7-8H,1-6H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 MDJFHRLTPRPZLY-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 226.10659032 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C9H14N4O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 226.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1COCCN1CCN2C=NC=C2[N+](=O)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1COCCN1CCN2C=NC=C2[N+](=O)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 76.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 226.10659032 16 0 0 0 0 0 0 0 1 -1