12228 1 2 3 4 5 6 7 8 7 6 6 1 1 1 1 2 2 3 3 3 4 3 4 5 6 7 2 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 4.5981 2.866 2 3.732 2.31 1.4631 1.69 0.5 -0.5 -0 0 0.5369 0.31 -0.5369 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 44 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371004220000000000000000000000000000000000000000000000000000000000000000016000000000000000000040200020000002800000014000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methylimino(oxo)methane IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methylimino(oxo)methane IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methylimino(oxo)methane IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methylimino(oxo)methane IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 methylimino(oxidanylidene)methane IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 keto(methylimino)methane InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C2H3NO/c1-3-2-4/h1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HAMGRBXTJNITHG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 57.021463719 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C2H3NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 57.05 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN=C=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN=C=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 29.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 57.021463719 4 0 0 0 0 0 0 0 1 -1