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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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8
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Hydrogen bond donors
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3
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Rotatable bonds
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15
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Topological polar surface area
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136.15
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Molecular weight
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453.2
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XLogP
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2.11
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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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CN(CCC=C(CCC=C(CCC=C(C)C)C)C)CCOP(=O)(OP(=O)(O)O)O
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Isomeric SMILES
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CN(CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)CCOP(=O)(OP(=O)(O)O)O
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InChI
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InChI=1S/C19H37NO7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13H,6-8,10,12,14-16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+
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InChI Key
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OEMBPHBKZPOPBN-NWLVNBMCSA-N
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