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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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1
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Hydrogen bond donors
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1
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Rotatable bonds
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2
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Topological polar surface area
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37.27
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Molecular weight
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312.03
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XLogP
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3.71
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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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Clc1cccc(c1)n1c(=O)[nH]c2c1ccc(c2)C(F)(F)F
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Isomeric SMILES
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Clc1cccc(c1)n1c(=O)[nH]c2c1ccc(c2)C(F)(F)F
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InChI
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InChI=1S/C14H8ClF3N2O/c15-9-2-1-3-10(7-9)20-12-5-4-8(14(16,17)18)6-11(12)19-13(20)21/h1-7H,(H,19,21)
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InChI Key
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NMPJFFWYEIIGFW-UHFFFAOYSA-N
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