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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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1
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Rotatable bonds
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9
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Topological polar surface area
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68.23
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Molecular weight
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419.17
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XLogP
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4.88
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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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CCOC(C(=O)O)Cc1ccc(cc1)OCCN1c2ccccc2Oc2c1cccc2
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Isomeric SMILES
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CCO[C@H](C(=O)O)Cc1ccc(cc1)OCCN1c2ccccc2Oc2c1cccc2
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InChI
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InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
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InChI Key
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WMUIIGVAWPWQAW-DEOSSOPVSA-N
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