12753 1 2 3 4 5 6 7 8 9 10 11 12 8 7 6 6 6 6 6 1 1 1 1 1 1 -1 2 1 1 2 2 3 3 4 4 5 5 6 6 7 2 3 4 5 8 6 9 7 10 7 11 12 1 2 1 1 1 2 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 2.866 2.866 2 3.732 2 3.732 2.866 1.4631 4.269 1.4631 4.269 2.866 -1.5 -0.5 -0 0 1 1 1.5 -0.31 -0.31 1.31 1.31 2.12 8 8 8 8 8 8 2 2 3 4 5 6 3 4 5 6 7 7 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 50 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 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 00000371806220000000000000000000000000000000000000002C0000000000000000018000001C00040000000800C112043C8092181000A0003067440082802031022028D82038649A0820E2C09191842008608000C8C8061000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-oxidopyridin-1-ium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-oxidopyridin-1-ium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-oxidopyridin-1-ium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-oxidopyridin-1-ium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-oxidanidylpyridin-1-ium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-oxidopyridin-1-ium InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ILVXOBCQQYKLDS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -1.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 95.037113783 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C5H5NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 95.10 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=[N+](C=C1)[O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=[N+](C=C1)[O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 25.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 95.037113783 7 0 0 0 0 0 0 0 1 -1