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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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7
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Topological polar surface area
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104.64
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Molecular weight
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456.15
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XLogP
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5.15
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No. Lipinski's rules broken
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1
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SMILES / InChI / InChIKey
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Canonical SMILES
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OC(=O)CC(CP(=O)(C=CC1=C(c2ccc(cc2)F)c2c(C31CCCC3)cccc2)O)O
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Isomeric SMILES
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OC(=O)C[C@@H](CP(=O)(/C=C/C1=C(c2ccc(cc2)F)c2c(C31CCCC3)cccc2)O)O
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InChI
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InChI=1S/C25H26FO5P/c26-18-9-7-17(8-10-18)24-20-5-1-2-6-21(20)25(12-3-4-13-25)22(24)11-14-32(30,31)16-19(27)15-23(28)29/h1-2,5-11,14,19,27H,3-4,12-13,15-16H2,(H,28,29)(H,30,31)/b14-11+/t19-/m0/s1
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InChI Key
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AOSODOHQJJPEAM-VUVZNRFTSA-N
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