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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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6
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Hydrogen bond donors
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3
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Rotatable bonds
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9
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Topological polar surface area
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113.87
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Molecular weight
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438.16
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XLogP
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3.95
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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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OC(=O)CC(CP(=O)(OCc1c(cc(cc1c1ccc(c(c1)C)F)C)C(C)C)O)O
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Isomeric SMILES
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OC(=O)C[C@@H](CP(=O)(OCc1c(cc(cc1c1ccc(c(c1)C)F)C)C(C)C)O)O
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InChI
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InChI=1S/C22H28FO6P/c1-13(2)18-7-14(3)8-19(16-5-6-21(23)15(4)9-16)20(18)11-29-30(27,28)12-17(24)10-22(25)26/h5-9,13,17,24H,10-12H2,1-4H3,(H,25,26)(H,27,28)/t17-/m0/s1
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InChI Key
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WHQUHTXULUACFD-KRWDZBQOSA-N
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