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canSAR1616731
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NAMES
    SMILES
    CCN1C=C/C(=C/c2ccc3ccccc3[n+]2C)c2ccc(C)cc21
    InChI
    InChI=1S/C23H23N2/c1-4-25-14-13-19(21-12-9-17(2)15-23(21)25)16-20-11-10-18-7-5-6-8-22(18)24(20)3/h5-16H,4H2,1-3H3/q+1
    MOLECULAR FORMULA
    C23H23N2+
    CROSS REFERENCES
    1616731 logo

    canSAR1616731

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 327.19
    AlogP 4.87
    HBond donors 0
    HBond acceptors 2
    Atoms 48
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1616731.