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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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3
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Hydrogen bond donors
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1
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Rotatable bonds
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9
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Topological polar surface area
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51.22
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Molecular weight
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378.16
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XLogP
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4.72
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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O=C(NC(c1ccc(cn1)OCC(F)(F)F)C)Cc1ccc(cc1)C1CC1
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Isomeric SMILES
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O=C(N[C@@H](c1ccc(cn1)OCC(F)(F)F)C)Cc1ccc(cc1)C1CC1
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InChI
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InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1
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InChI Key
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GEYDMBNDOVPFJL-CYBMUJFWSA-N
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