53239978 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 17 17 8 8 8 8 7 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 2 3 4 4 5 6 6 7 7 7 8 8 8 9 10 10 11 11 13 13 14 14 15 15 16 17 17 18 19 19 20 20 21 22 23 25 25 26 26 27 22 23 12 21 27 18 24 38 9 12 29 9 10 11 14 12 15 13 28 16 18 16 30 17 31 32 19 20 21 23 33 22 34 25 24 24 26 35 27 36 37 1 1 2 1 1 2 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 2 1 2 1 1 2 1 1 10 8 12 15 17 31 3 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 11.5964 10.882 9.5766 3.4782 4.4487 12.2177 7.993 7.0468 7.0468 7.993 6.1808 8.5766 5.3147 6.1808 8.3037 5.3147 9.2822 4.4487 9.5928 9.95 3.5827 10.9285 10.5713 11.2392 2.6691 2 2.5 6.1808 8.1856 6.1808 7.8896 4.7778 9.1788 9.7574 2.5402 1.3834 2.2478 12.4103 -0.6583 2.7314 -1.3373 -1.8319 0.6627 1.2428 -2.1421 -0.8373 -1.8373 -0.5326 -0.3373 -1.3373 -0.8373 -2.3373 0.4179 -1.8373 0.6241 -0.3373 1.5747 -0.1202 -0.8373 0.0861 1.7809 1.0366 -0.4306 -1.1738 -2.0398 0.2827 -2.7314 -2.9573 0.8794 -2.1473 2.0361 -0.7095 0.1758 -1.1089 -2.6062 1.8321 8 8 8 8 8 1 8 8 8 8 8 8 8 8 8 8 8 8 4 4 8 8 9 10 11 13 14 17 17 19 20 21 22 23 25 26 21 27 9 11 14 15 13 16 16 19 20 23 22 25 24 24 26 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 628 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07A380006000000000000000000000000016240000030600000000000005801D000001E02100800000C0EA1982230C682C006408802AD52D002820800252740088801466FC80C2632C7B79F867928E4D411C8F9879CCFF0BE28000220008208005000044001041000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(3,5-dichloro-4-hydroxy-phenyl)methylene]-5-(furan-2-carbonyl)indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-[2-furanyl(oxo)methyl]-1H-indol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-carbonyl)-1<I>H</I>-indol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-5-(furan-2-carbonyl)-1H-indol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]methylidene]-5-(furan-2-ylcarbonyl)-1H-indol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-(3,5-dichloro-4-hydroxy-benzylidene)-5-(2-furoyl)oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H11Cl2NO4/c21-14-7-10(8-15(22)19(14)25)6-13-12-9-11(3-4-16(12)23-20(13)26)18(24)17-2-1-5-27-17/h1-9,25H,(H,23,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XKTUKRBLWOHYIL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 399.0065132 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H11Cl2NO4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 400.2 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=COC(=C1)C(=O)C2=CC3=C(C=C2)NC(=O)C3=CC4=CC(=C(C(=C4)Cl)O)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=COC(=C1)C(=O)C2=CC3=C(C=C2)NC(=O)C3=CC4=CC(=C(C(=C4)Cl)O)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 79.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 399.0065132 27 0 0 0 1 0 1 0 1 -1