67517 1 2 3 4 5 6 7 8 7 7 6 6 1 1 1 1 2 3 4 4 5 2 3 4 5 5 6 7 1 1 2 2 1 1 1 1 5 255 1 2 3 4 5 6 7 2.809 3.618 2 3.309 2.309 3.6734 1.9446 -0.7694 -0.1816 -0.1816 0.7694 0.7694 1.271 1.271 8 8 8 8 8 1 1 2 3 4 2 3 4 5 5 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 26.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 0000037100432000000000000000000000000000000160000000000000000000000000018000001C00040000000000C102042C8010100000A100102742000000040012002800001030020040000000000000000000800000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,5-oxadiazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,5-oxadiazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,5-oxadiazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,5-oxadiazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1,2,5-oxadiazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 furazan InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H2N2O/c1-2-4-5-3-1/h1-2H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JKFAIQOWCVVSKC-UHFFFAOYSA-N Log P XLogP3 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 70.016712692 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H2N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 70.05 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=NON=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=NON=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 38.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 70.016712692 5 0 0 0 0 0 0 0 1 -1