canSAR1774888
FEATURES
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NAMES
    SMILES
    O=C1C=C(/C=C/c2ccccc2)C[C@@H](c2ccc3c(c2)OCO3)C1
    InChI
    InChI=1S/C21H18O3/c22-19-11-16(7-6-15-4-2-1-3-5-15)10-18(12-19)17-8-9-20-21(13-17)24-14-23-20/h1-9,11,13,18H,10,12,14H2/b7-6+/t18-/m1/s1
    MOLECULAR FORMULA
    C21H18O3
    CROSS REFERENCES
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    canSAR1774888
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight318.13
    AlogP4.50
    HBond donors0
    HBond acceptors3
    Atoms42
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1774888.