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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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4
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Hydrogen bond donors
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2
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Rotatable bonds
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6
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Topological polar surface area
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104.32
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Molecular weight
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374.09
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XLogP
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2.4
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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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ONC(=O)C=Cc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(cc1)OC
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Isomeric SMILES
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ONC(=O)/C=C/c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(cc1)OC
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InChI
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InChI=1S/C18H18N2O5S/c1-25-15-4-6-16(7-5-15)26(23,24)20-11-10-14-12-13(2-8-17(14)20)3-9-18(21)19-22/h2-9,12,22H,10-11H2,1H3,(H,19,21)/b9-3+
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InChI Key
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LMFNVOGHSBJWLX-YCRREMRBSA-N
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