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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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5
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Rotatable bonds
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9
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Topological polar surface area
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177.19
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Molecular weight
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347.08
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XLogP
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-3.44
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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(=O)COc1ccc(cc1)C(P(=O)(CCC(C(=O)O)N)O)O
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Isomeric SMILES
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OC(=O)COc1ccc(cc1)C(P(=O)(CC[C@@H](C(=O)O)N)O)O
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InChI
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InChI=1S/C13H18NO8P/c14-10(12(17)18)5-6-23(20,21)13(19)8-1-3-9(4-2-8)22-7-11(15)16/h1-4,10,13,19H,5-7,14H2,(H,15,16)(H,17,18)(H,20,21)/t10-,13?/m0/s1
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InChI Key
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BGOFVWMHMQISHB-NKUHCKNESA-N
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