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canSAR126814
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NAMES
    SMILES
    Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(OC(F)(F)F)cc1
    InChI
    InChI=1S/C16H10F3NO3S/c1-8-6-11-12(22-15(21)13(11)14(24)20-8)7-9-2-4-10(5-3-9)23-16(17,18)19/h2-7H,1H3,(H,20,24)/b12-7-
    MOLECULAR FORMULA
    C16H10F3NO3S
    CROSS REFERENCES
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    canSAR126814

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 353.03
    AlogP 4.62
    HBond donors 1
    HBond acceptors 4
    Atoms 34
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR126814.