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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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6
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Rotatable bonds
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6
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Topological polar surface area
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228.23
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Molecular weight
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438
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XLogP
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-3.51
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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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OC1C(COP(=O)(C(P(=O)(O)O)(F)F)O)OC(C1O)n1ccc(=O)[nH]c1=O
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Isomeric SMILES
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O[C@H]1[C@@H](COP(=O)(C(P(=O)(O)O)(F)F)O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=O
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InChI
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InChI=1S/C10H14F2N2O11P2/c11-10(12,26(19,20)21)27(22,23)24-3-4-6(16)7(17)8(25-4)14-2-1-5(15)13-9(14)18/h1-2,4,6-8,16-17H,3H2,(H,22,23)(H,13,15,18)(H2,19,20,21)/t4-,6+,7+,8-/m1/s1
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InChI Key
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JKJYHYKRGKKASI-YDKYIBAVSA-N
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