82157 1 2 3 4 5 6 7 8 16 8 8 8 8 8 7 1 1 1 1 1 2 3 6 2 3 4 5 7 8 7 1 1 2 2 1 1 2 1 5 255 1 2 3 4 5 6 7 8 3.403 4.269 2.5369 2.903 3.903 6.001 5.135 2 0 0.5 -0.5 0.866 -0.866 0.5 0 -0.19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 136 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000238004000000000000000000000000000000000000000000000000000000000000000000408000000000000000000000040800100000001300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 nitroso hydrogen sulfate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sulfuric acid nitroso ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 nitroso hydrogen sulfate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 nitroso hydrogen sulfate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 nitroso hydrogen sulfate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sulfuric acid nitroso ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/HNO5S/c2-1-6-7(3,4)5/h(H,3,4,5) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 VQTGUFBGYOIUFS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 126.95754331 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 HNO5S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 127.08 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 N(=O)OS(=O)(=O)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 N(=O)OS(=O)(=O)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 101 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 126.95754331 7 0 0 0 0 0 0 0 1 -1