canSAR1708632
FEATURES
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NAMES
    SMILES
    Cc1cc(-c2ccccc2)cc(C)[n+]1-c1cc[nH]n1.[O-][Cl+3]([O-])([O-])[O-]
    InChI
    InChI=1S/C16H16N3.ClHO4/c1-12-10-15(14-6-4-3-5-7-14)11-13(2)19(12)16-8-9-17-18-16;2-1(3,4)5/h3-11H,1-2H3,(H,17,18);(H,2,3,4,5)/q+1;/p-1
    MOLECULAR FORMULA
    C16H16ClN3O4
    CROSS REFERENCES
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    canSAR1708632
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight349.08
    AlogP-1.79
    HBond donors1
    HBond acceptors7
    Atoms40
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1708632.