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canSAR660278
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NAMES
    SMILES
    COC(=O)CCC[n+]1ccc2c(c1)[nH]c1ccc(Cl)cc12.[Br-]
    InChI
    InChI=1S/C16H15ClN2O2.BrH/c1-21-16(20)3-2-7-19-8-6-12-13-9-11(17)4-5-14(13)18-15(12)10-19;/h4-6,8-10H,2-3,7H2,1H3;1H
    MOLECULAR FORMULA
    C16H16BrClN2O2
    CROSS REFERENCES
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    canSAR660278

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 382.01
    AlogP 0.22
    HBond donors 1
    HBond acceptors 4
    Atoms 38
    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 canSAR660278.