Abbreviated name: 29-MOS
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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1
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Hydrogen bond donors
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0
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Rotatable bonds
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17
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Topological polar surface area
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12.53
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Molecular weight
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438.39
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XLogP
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10.95
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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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CC=CCCC(=CCCC(=CCCC=C(CCC=C(CCC1OC1(C)C)C)C)C)CC=C
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Isomeric SMILES
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C/C=C\CC/C(=C\CC/C(=C/CC/C=C(/CC/C=C(/CCC1OC1(C)C)\C)\C)/C)/CC=C
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InChI
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InChI=1S/C31H50O/c1-8-10-11-22-29(16-9-2)23-15-21-27(4)18-13-12-17-26(3)19-14-20-28(5)24-25-30-31(6,7)32-30/h8-10,17-18,20,23,30H,2,11-16,19,21-22,24-25H2,1,3-7H3/b10-8-,26-17+,27-18+,28-20+,29-23-
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InChI Key
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DOTTUEYUTNVWMJ-KSTFQPQISA-N
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