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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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3
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Rotatable bonds
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10
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Topological polar surface area
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60.69
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Molecular weight
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376.3
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XLogP
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6.85
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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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CCCCCCC(c1ccc(c(c1)O)C1CC(O)CCC1CCCO)(C)C
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Isomeric SMILES
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CCCCCCC(c1ccc(c(c1)O)[C@@H]1C[C@H](O)CC[C@H]1CCCO)(C)C
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InChI
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InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
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InChI Key
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YNZFFALZMRAPHQ-SYYKKAFVSA-N
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