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canSAR646718
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NAMES
    SMILES
    O=C(NCCCC/N=C/c1cc(I)cc(I)c1O)c1ccccc1O
    InChI
    InChI=1S/C18H18I2N2O3/c19-13-9-12(17(24)15(20)10-13)11-21-7-3-4-8-22-18(25)14-5-1-2-6-16(14)23/h1-2,5-6,9-11,23-24H,3-4,7-8H2,(H,22,25)/b21-11+
    MOLECULAR FORMULA
    C18H18I2N2O3
    CROSS REFERENCES
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    canSAR646718

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 563.94
    AlogP 3.94
    HBond donors 3
    HBond acceptors 5
    Atoms 43
    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 canSAR646718.