11630874 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 16 9 8 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 2 3 3 4 4 5 6 7 7 7 8 8 9 9 10 10 11 11 12 13 13 14 15 15 16 17 17 18 18 16 21 20 8 10 14 29 19 21 19 21 28 9 11 14 15 12 13 12 22 23 16 24 17 18 25 19 20 26 20 27 1 1 1 1 1 1 1 2 2 1 1 1 1 2 2 1 2 1 1 1 1 2 1 1 2 1 1 2 1 1 1 13 10 24 16 1 19 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 4.5661 4.269 3.46 2.5369 2.0934 5.5366 3.7571 4.269 4.269 3.769 5.078 4.769 3.1812 3.403 5.135 3.5879 3.403 5.135 3.0879 4.269 4.6706 5.6677 5.1334 2.5646 5.672 2.866 5.672 3.6282 2 2.7308 -4.7385 -0.1507 -1.7385 3.4934 4.2253 4.1321 -0.7385 -1.7385 0.8003 -0.1507 0.8003 1.6094 -2.2385 -2.2385 2.5229 -3.2385 -3.2385 3.3889 -3.7385 3.7253 -0.3423 1.3019 1.5445 -1.9285 -3.5485 -3.5485 4.7385 -2.0485 8 8 8 8 8 8 8 8 8 8 8 3 3 8 9 9 10 11 14 15 17 18 8 10 11 14 15 12 12 17 18 20 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 484 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371C072390040000000000000000000000000016240000030000000000000000001C000001F04100800000C0481D808300682C006488802A15210008208006420100888010608C80C273686351A827960A5E43108B98788C8F08E00000000000800000000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5Z)-5-[[5-(4-fluoro-2-hydroxy-phenyl)-2-furyl]methylene]thiazolidine-2,4-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5Z)-5-[[5-(4-fluoro-2-hydroxyphenyl)-2-furanyl]methylidene]thiazolidine-2,4-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5<I>Z</I>)-5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5Z)-5-[[5-(4-fluoro-2-hydroxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5Z)-5-[[5-(4-fluoranyl-2-oxidanyl-phenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (5Z)-5-[[5-(4-fluoro-2-hydroxy-phenyl)-2-furyl]methylene]thiazolidine-2,4-quinone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H8FNO4S/c15-7-1-3-9(10(17)5-7)11-4-2-8(20-11)6-12-13(18)16-14(19)21-12/h1-6,17H,(H,16,18,19)/b12-6- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 OYYVWNDMOQPMGE-SDQBBNPISA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 305.01580707 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H8FNO4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 305.28 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=C(C=C1F)O)C2=CC=C(O2)C=C3C(=O)NC(=O)S3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC(=C(C=C1F)O)C2=CC=C(O2)/C=C\3/C(=O)NC(=O)S3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 105 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 305.01580707 21 0 0 0 1 1 0 0 1 -1