Fluconazole (Q4794)

From Chemical Compounds of Interest
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chemical compound
Language Label Description Also known as
English
Fluconazole
chemical compound

    Statements

    SMILES (without stereochemistry)
    C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
    0 references
    chemical formula
    C₁₃H₁₂F₂N₆O
    1 reference
    based on heuristic
    inferred from SMILES
    InChI
    InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
    1 reference
    based on heuristic
    inferred from SMILES
    AOP-Wiki Stressor ID
    290
    0 references
     
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