Synonyms: AFP 07 | AFP07
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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5
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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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86.99
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Molecular weight
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388.21
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XLogP
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3.3
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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CCCCCC(C=CC1C(O)CC2C1C(F)(F)C(=CCCCC(=O)O)O2)O
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Isomeric SMILES
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CCCCC[C@@H](/C=C/[C@H]1[C@H](O)C[C@H]2[C@@H]1C(F)(F)/C(=C/CCCC(=O)O)/O2)O
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InChI
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InChI=1S/C20H30F2O5/c1-2-3-4-7-13(23)10-11-14-15(24)12-16-19(14)20(21,22)17(27-16)8-5-6-9-18(25)26/h8,10-11,13-16,19,23-24H,2-7,9,12H2,1H3,(H,25,26)/b11-10+,17-8-/t13-,14-,15+,16-,19+/m0/s1
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InChI Key
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ILUYAOVLMOPQAI-BFOOZVJSSA-N
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