5359280 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 8 8 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 6 6 7 7 8 8 9 10 5 3 17 10 16 5 6 10 7 8 11 9 12 9 13 14 15 2 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 4 5 6 10 15 3 2 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 2 4.5981 4.5981 3.732 2.866 4.5981 2.866 4.5981 3.732 3.732 5.135 2.3291 5.135 3.732 3.1951 5.135 5.135 -0.405 2.095 1.095 -0.405 -0.905 -0.905 -1.905 -1.905 -2.405 0.595 -0.595 -2.215 -2.215 -3.025 0.905 0.785 2.405 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 226 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0000037180623000000000000000000000000000000000000000200000000000000000000000001E00140800000C04C180040000005000008802A05640000000002000000808810000480800000001000000000080000881C20000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6E)-6-[(hydroxyamino)methylene]cyclohexa-2,4-dien-1-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6E)-6-[(hydroxyamino)methylidene]-1-cyclohexa-2,4-dienone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6<I>E</I>)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6E)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6E)-6-[(oxidanylamino)methylidene]cyclohexa-2,4-dien-1-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (6E)-6-[(hydroxyamino)methylene]cyclohexa-2,4-dien-1-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C7H7NO2/c9-7-4-2-1-3-6(7)5-8-10/h1-5,8,10H/b6-5+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GFCNBJDXQMZOOC-AATRIKPKSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 137.047678466 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C7H7NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 137.14 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC(=CNO)C(=O)C=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=C/C(=C\NO)/C(=O)C=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 49.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 137.047678466 10 0 0 0 1 1 0 0 1 -1