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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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10
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Hydrogen bond donors
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4
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Rotatable bonds
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14
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Topological polar surface area
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179.44
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Molecular weight
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462.12
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XLogP
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0.37
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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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CC(=CCOP(=O)(OP(=O)(OCCC(C(C(=O)O)F)(O)C)O)O)CCC=C(C)C
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Isomeric SMILES
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C/C(=C\COP(=O)(OP(=O)(OCCC(C(C(=O)O)F)(O)C)O)O)/CCC=C(C)C
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InChI
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InChI=1S/C16H29FO10P2/c1-12(2)6-5-7-13(3)8-10-25-28(21,22)27-29(23,24)26-11-9-16(4,20)14(17)15(18)19/h6,8,14,20H,5,7,9-11H2,1-4H3,(H,18,19)(H,21,22)(H,23,24)/b13-8+
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InChI Key
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ACYPMTKDKJZHBJ-MDWZMJQESA-N
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