59035281 1 2 3 4 5 6 7 8 9 10 11 12 13 8 8 7 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 4 10 11 3 5 12 13 5 6 7 8 9 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 2.5369 5.135 6.001 3.403 4.269 3.8015 3.0044 3.8705 4.6675 2 2.5369 6.538 6.001 0.06 0.56 0.06 0.56 0.06 1.035 1.035 -0.4149 -0.4149 0.37 -0.56 0.37 -0.56 1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 17.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C0423000000000000000000000000000000000000000000000000000000000000000001A00140800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-aminooxyethyloxonium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-aminooxyethyloxonium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-aminooxyethyloxidanium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-aminooxyethyloxidanium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-azanyloxyethyloxidanium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-aminooxyethyloxonium InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C2H7NO2/c3-5-2-1-4/h4H,1-3H2/p+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WWWTWPXKLJTKPM-UHFFFAOYSA-O Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 -1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 78.055503498 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C2H8NO2+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 78.09 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C(CON)[OH2+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C(CON)[OH2+] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 36.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 78.055503498 5 0 0 0 0 0 0 0 1 -1