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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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10
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Hydrogen bond donors
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6
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Rotatable bonds
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7
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Topological polar surface area
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243.25
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Molecular weight
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432.02
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XLogP
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-2.62
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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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OC1C(COP(=O)(CCP(=O)(O)O)O)OC(C1O)n1ccc(=O)[nH]c1=S
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Isomeric SMILES
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O[C@H]1[C@@H](COP(=O)(CCP(=O)(O)O)O)O[C@H]([C@H]1O)n1ccc(=O)[nH]c1=S
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InChI
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InChI=1S/C11H18N2O10P2S/c14-7-1-2-13(11(26)12-7)10-9(16)8(15)6(23-10)5-22-25(20,21)4-3-24(17,18)19/h1-2,6,8-10,15-16H,3-5H2,(H,20,21)(H,12,14,26)(H2,17,18,19)/t6-,8+,9+,10-/m1/s1
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InChI Key
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RCFKBLDZKDFBNO-DOWZNPNQSA-N
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