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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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2
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Rotatable bonds
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10
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Topological polar surface area
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66.76
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Molecular weight
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386.25
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XLogP
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7.32
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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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COc1cc(C)c(c(c1CC=C(CCC=C(CCC=C(C)C)C)C)O)C(=O)O
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Isomeric SMILES
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COc1cc(C)c(c(c1C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)C(=O)O
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InChI
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InChI=1S/C24H34O4/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-20-21(28-6)15-19(5)22(23(20)25)24(26)27/h9,11,13,15,25H,7-8,10,12,14H2,1-6H3,(H,26,27)/b17-11+,18-13+
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InChI Key
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ARZABMWMUVWDJX-OUBUNXTGSA-N
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