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canSAR91401
FEATURES
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NAMES
    SMILES
    O=C(c1ccccc1)c1cc(Br)cc2c1SCC2C(=O)O
    InChI
    InChI=1S/C16H11BrO3S/c17-10-6-11-13(16(19)20)8-21-15(11)12(7-10)14(18)9-4-2-1-3-5-9/h1-7,13H,8H2,(H,19,20)
    MOLECULAR FORMULA
    C16H11BrO3S
    CROSS REFERENCES
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    canSAR91401

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 361.96
    AlogP 3.95
    HBond donors 1
    HBond acceptors 3
    Atoms 32
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR91401.