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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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9
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Topological polar surface area
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104.64
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Molecular weight
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436.18
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XLogP
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4.52
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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)(CCc1c(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)(CCc1c(cc(cc1c1ccc(c(c1)C)F)C)C(C)C)O)O
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InChI
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InChI=1S/C23H30FO5P/c1-14(2)20-9-15(3)10-21(17-5-6-22(24)16(4)11-17)19(20)7-8-30(28,29)13-18(25)12-23(26)27/h5-6,9-11,14,18,25H,7-8,12-13H2,1-4H3,(H,26,27)(H,28,29)/t18-/m0/s1
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InChI Key
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IZGDXVLRMHXOJV-SFHVURJKSA-N
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