54693422 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 9 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 5 5 5 6 6 7 7 8 9 9 10 10 12 12 12 13 13 14 14 15 16 16 17 17 19 19 19 18 11 31 8 15 6 7 8 10 12 13 14 9 11 15 11 20 21 22 23 16 24 17 25 19 18 26 18 27 28 29 30 1 1 1 2 2 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 4.5981 4.5981 2.866 2 4.5981 5.4641 4.5981 3.732 3.732 5.4641 4.5981 6.3301 5.4641 3.732 2.866 5.4641 3.732 4.5981 2.866 6.001 6.0201 6.8671 6.6401 6.001 3.1951 6.001 3.1951 3.486 2.866 2.246 5.135 -3.655 3.345 0.345 1.845 0.345 0.845 -0.655 0.845 1.845 1.845 2.345 0.345 -1.155 -1.155 2.345 -2.155 -2.155 -2.655 3.345 2.155 -0.1919 0.035 0.8819 -0.845 -0.845 -2.465 -2.465 3.345 3.965 3.345 3.655 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 7 7 8 9 10 13 14 16 17 6 8 10 13 14 9 11 11 16 17 18 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 473 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0723100000000000000000000000000000000000000304000000000000000010000001F00000800000C0C81900832C0830002008802A55250008200002122000888010064C808243AC89191843008608400C8D9071000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methyl-pyridin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-pyridinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methylpyridin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-ethanoyl-1-(4-fluorophenyl)-6-methyl-4-oxidanyl-pyridin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-acetyl-1-(4-fluorophenyl)-4-hydroxy-6-methyl-2-pyridone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H12FNO3/c1-8-7-12(18)13(9(2)17)14(19)16(8)11-5-3-10(15)4-6-11/h3-7,18H,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FYQMEFAWDKZUJM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 261.08012141 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H12FNO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 261.25 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=C(C(=O)N1C2=CC=C(C=C2)F)C(=O)C)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=C(C(=O)N1C2=CC=C(C=C2)F)C(=O)C)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 57.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 261.08012141 19 0 0 0 0 0 0 0 1 -1