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canSAR2050289
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C/C(=O)/C=C/c2cc(Br)ccc2Br)ccc1O
    InChI
    InChI=1S/C18H14Br2O3/c1-23-18-10-12(3-9-17(18)22)2-6-15(21)7-4-13-11-14(19)5-8-16(13)20/h2-11,22H,1H3/b6-2+,7-4+
    MOLECULAR FORMULA
    C18H14Br2O3
    CROSS REFERENCES
    2050289 logo

    canSAR2050289

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.93
    AlogP 5.22
    HBond donors 1
    HBond acceptors 3
    Atoms 37
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2050289.