Synonyms: [3H]-(+)-fluprostenol
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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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4
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Rotatable bonds
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12
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Topological polar surface area
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107.22
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Molecular weight
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458.19
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XLogP
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3.37
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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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OC(=O)CCCC=CCC1C(O)CC(C1C=CC(COc1cccc(c1)C(F)(F)F)O)O
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Isomeric SMILES
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OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@H]([C@@H]1/C=C/[C@H](COc1cccc(c1)C(F)(F)F)O)O
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InChI
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InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1
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InChI Key
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WWSWYXNVCBLWNZ-QIZQQNKQSA-N
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