521293 1 2 3 4 8 7 6 1 1 -1 2 1 1 2 3 2 3 4 1 3 1 1 5 255 1 2 3 4 4.269 3.403 2.5369 2 0.655 0.155 -0.345 -0.655 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 31.3 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 00000371000220000000000000000000000000000000000000000000000000000000000000000014000400000000000000040000001000001000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 formonitrile oxide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 formonitrile oxide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 formonitrile oxide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 formonitrile oxide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methanenitrile oxide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 fulminic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CHNO/c1-2-3/h1H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 UXKUODQYLDZXDL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 43.005813655 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CHNO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 43.025 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C#[N+][O-] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C#[N+][O-] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 30.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 43.005813655 3 0 0 0 0 0 0 0 1 -1