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canSAR729929
FEATURES
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NAMES
    SMILES
    CC1=C(/C=C/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C(C)(C)CCC1
    InChI
    InChI=1S/C20H23NO3/c1-15-6-5-13-20(2,3)19(15)12-11-18(22)10-9-16-7-4-8-17(14-16)21(23)24/h4,7-12,14H,5-6,13H2,1-3H3/b10-9+,12-11+
    MOLECULAR FORMULA
    C20H23NO3
    CROSS REFERENCES
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    canSAR729929

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 325.17
    AlogP 5.26
    HBond donors 0
    HBond acceptors 4
    Atoms 47
    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 canSAR729929.