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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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3
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Hydrogen bond donors
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2
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Rotatable bonds
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14
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Topological polar surface area
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57.53
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Molecular weight
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320.24
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XLogP
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6.22
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No. Lipinski's rules broken
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2
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SMILES / InChI / InChIKey
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Canonical SMILES
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CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)O
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Isomeric SMILES
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CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O)O
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InChI
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InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
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InChI Key
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ZNHVWPKMFKADKW-LQWMCKPYSA-N
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