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canSAR914401
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NAMES
    SMILES
    O=C(OC1CN2CCC1CC2)C(O)(c1ccccc1)c1ccc([125I])cc1
    InChI
    InChI=1S/C21H22INO3/c22-18-8-6-17(7-9-18)21(25,16-4-2-1-3-5-16)20(24)26-19-14-23-12-10-15(19)11-13-23/h1-9,15,19,25H,10-14H2/i22-2
    MOLECULAR FORMULA
    C21H22INO3
    CROSS REFERENCES
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    canSAR914401

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 461.06
    AlogP 3.16
    HBond donors 1
    HBond acceptors 4
    Atoms 48
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR914401.