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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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5
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Hydrogen bond donors
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3
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Rotatable bonds
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8
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Topological polar surface area
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109.05
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Molecular weight
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445.15
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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)(C=Cc1c(C(C)C)c2c(n1c1ccc(cc1)F)cccc2)O)O
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Isomeric SMILES
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OC(=O)C[C@@H](CP(=O)(/C=C/c1c(C(C)C)c2c(n1c1ccc(cc1)F)cccc2)O)O
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InChI
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InChI=1S/C23H25FNO5P/c1-15(2)23-19-5-3-4-6-20(19)25(17-9-7-16(24)8-10-17)21(23)11-12-31(29,30)14-18(26)13-22(27)28/h3-12,15,18,26H,13-14H2,1-2H3,(H,27,28)(H,29,30)/b12-11+/t18-/m0/s1
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InChI Key
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RTTUBUXMNUJHRR-DXRVJIQQSA-N
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