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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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11
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Hydrogen bond donors
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5
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Rotatable bonds
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16
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Topological polar surface area
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199.67
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Molecular weight
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488.16
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XLogP
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-0.09
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No. Lipinski's rules broken
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2
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SMILES / InChI / InChIKey
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Canonical SMILES
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CC(=CCOP(=O)(OP(=O)(OCCC(CC(CC(=O)O)(O)C)O)O)O)CCC=C(C)C
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Isomeric SMILES
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C/C(=C\COP(=O)(OP(=O)(OCCC(CC(CC(=O)O)(O)C)O)O)O)/CCC=C(C)C
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InChI
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InChI=1S/C18H34O11P2/c1-14(2)6-5-7-15(3)8-10-27-30(23,24)29-31(25,26)28-11-9-16(19)12-18(4,22)13-17(20)21/h6,8,16,19,22H,5,7,9-13H2,1-4H3,(H,20,21)(H,23,24)(H,25,26)/b15-8+
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InChI Key
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WJXJJEWDRXZOEO-OVCLIPMQSA-N
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