33184 1 2 3 4 5 6 7 8 9 10 11 8 7 7 6 6 1 1 1 1 1 1 1 -1 2 1 1 2 2 3 4 4 4 5 5 5 2 3 4 5 6 7 8 9 10 11 1 2 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 2 2.866 3.732 2.866 4.5981 2.246 2.866 3.486 4.2881 5.135 4.9081 0.75 0.25 0.75 -0.75 0.25 -0.75 -1.37 -0.75 -0.2869 -0.06 0.7869 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371804320000000000000000000000000000000000000000000000000000000000000000014000C00000000000000040200001000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methyl-methylimino-oxido-ammonium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methyl-methylimino-oxidoammonium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methyl-methylimino-oxidoazanium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methyl-methylimino-oxidoazanium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methyl-methylimino-oxidanidyl-azanium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methyl-methylimino-oxido-ammonium InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H6N2O/c1-3-4(2)5/h1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DGAKHGXRMXWHBX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 74.048012819 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H6N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 74.08 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN=[N+](C)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN=[N+](C)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 41.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 74.048012819 5 0 0 0 0 0 0 0 1 -1