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canSAR2086495
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NAMES
    SMILES
    C[N+]12CCC(C1)N(c1cccc3ncccc13)CC2.[I-]
    InChI
    InChI=1S/C16H20N3.HI/c1-19-10-7-13(12-19)18(9-11-19)16-6-2-5-15-14(16)4-3-8-17-15;/h2-6,8,13H,7,9-12H2,1H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C16H20IN3
    CROSS REFERENCES
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    canSAR2086495

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 381.07
    AlogP -0.72
    HBond donors 0
    HBond acceptors 3
    Atoms 40
    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 canSAR2086495.