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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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7
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Hydrogen bond donors
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5
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Rotatable bonds
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14
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Topological polar surface area
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164.14
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Molecular weight
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438.16
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XLogP
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2.31
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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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CCCCCCCCCCOc1cccc(c1)CC(P(=O)(O)O)(P(=O)(O)O)O
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Isomeric SMILES
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CCCCCCCCCCOc1cccc(c1)CC(P(=O)(O)O)(P(=O)(O)O)O
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InChI
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InChI=1S/C18H32O8P2/c1-2-3-4-5-6-7-8-9-13-26-17-12-10-11-16(14-17)15-18(19,27(20,21)22)28(23,24)25/h10-12,14,19H,2-9,13,15H2,1H3,(H2,20,21,22)(H2,23,24,25)
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InChI Key
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MHLLAPRPDYGFFU-UHFFFAOYSA-N
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