54679483 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 32 33 34 35 36 37 38 39 40 17 16 8 8 7 6 6 6 6 6 6 6 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 1 1 2 2 3 3 4 5 5 5 6 6 7 7 7 9 9 10 12 12 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 25 26 11 13 25 10 39 8 6 8 9 11 13 8 10 12 14 15 11 16 17 18 19 27 20 28 22 29 23 30 21 31 24 32 24 33 25 34 26 35 26 36 37 38 40 1 1 1 1 1 2 1 1 1 2 1 1 2 1 2 1 1 2 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 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 32 33 34 35 36 37 38 39 40 7.1962 8.1097 5.4641 3.732 5.4641 6.3301 4.5981 4.5981 5.4641 5.4641 6.3301 3.732 7.1962 4.5981 6.3301 3.732 2.866 7.3007 4.5981 6.3301 8.2788 2.866 2 5.4641 8.7788 2 4.0611 6.8671 4.269 2.866 6.8399 4.0611 6.8671 8.531 2.866 1.4631 5.4641 9.3954 6.001 1.4631 1.75 0.1567 2.75 -0.25 -0.25 0.25 1.25 0.25 -1.25 1.75 1.25 1.75 -0.25 -1.75 -1.75 2.75 1.25 -1.2445 -2.75 -2.75 -1.4524 3.25 1.75 -3.25 -0.5864 2.75 -1.44 -1.44 3.06 0.63 -1.6594 -3.06 -3.06 -2.0188 3.87 1.44 -3.87 -0.5216 3.06 3.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 5 5 6 7 7 9 9 10 12 12 13 14 15 16 17 18 19 20 21 22 23 13 25 6 8 11 8 10 14 15 11 16 17 18 19 20 22 23 21 24 24 25 26 26 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 618 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07A300044000000000000000000000000012000000030608000000000000001D000001E06000800000C0E85D800B0C1830002088C0225525000830080212A104888190065C8082432E09591843008608400E8D9071888808E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-4-hydroxy-1,3-diphenyl-6-(2-thienyl)pyridin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-4-hydroxy-1,3-diphenyl-6-thiophen-2-yl-2-pyridinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-4-hydroxy-1,3-diphenyl-6-thiophen-2-ylpyridin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-4-hydroxy-1,3-diphenyl-6-thiophen-2-ylpyridin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloranyl-4-oxidanyl-1,3-diphenyl-6-thiophen-2-yl-pyridin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-chloro-4-hydroxy-1,3-diphenyl-6-(2-thienyl)-2-pyridone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H14ClNO2S/c22-18-19(16-12-7-13-26-16)23(15-10-5-2-6-11-15)21(25)17(20(18)24)14-8-3-1-4-9-14/h1-13,24H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ABIRKERROSRBGW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 379.0433776 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H14ClNO2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 379.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C2=C(C(=C(N(C2=O)C3=CC=CC=C3)C4=CC=CS4)Cl)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C2=C(C(=C(N(C2=O)C3=CC=CC=C3)C4=CC=CS4)Cl)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 68.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 379.0433776 26 0 0 0 0 0 0 0 1 -1