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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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2
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Hydrogen bond donors
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0
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Rotatable bonds
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2
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Topological polar surface area
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56.24
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Molecular weight
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339.09
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XLogP
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5.54
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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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O=c1cc(oc2c1cc(c1ccco1)c1c2cccc1)c1ccncc1
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Isomeric SMILES
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O=c1cc(oc2c1cc(c1ccco1)c1c2cccc1)c1ccncc1
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InChI
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InChI=1S/C22H13NO3/c24-19-13-21(14-7-9-23-10-8-14)26-22-16-5-2-1-4-15(16)17(12-18(19)22)20-6-3-11-25-20/h1-13H
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InChI Key
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YYRINQRAIIGEQV-UHFFFAOYSA-N
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