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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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9
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Hydrogen bond donors
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5
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Rotatable bonds
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10
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Topological polar surface area
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245.58
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Molecular weight
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472.01
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XLogP
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-1.47
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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OC(P(=O)(O)O)(P(=O)(O)O)CCCCOc1nonc1S(=O)(=O)c1ccccc1
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Isomeric SMILES
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OC(P(=O)(O)O)(P(=O)(O)O)CCCCOc1nonc1S(=O)(=O)c1ccccc1
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InChI
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InChI=1S/C13H18N2O11P2S/c16-13(27(17,18)19,28(20,21)22)8-4-5-9-25-11-12(15-26-14-11)29(23,24)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2,(H2,17,18,19)(H2,20,21,22)
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InChI Key
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PSWFNEHHRVMWEJ-UHFFFAOYSA-N
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