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canSAR1062558
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NAMES
    SMILES
    O=C1COCCN1c1ccc(C2CC(c3ccc([N+](=O)[O-])o3)=NO2)cn1
    InChI
    InChI=1S/C16H14N4O6/c21-15-9-24-6-5-19(15)14-3-1-10(8-17-14)13-7-11(18-26-13)12-2-4-16(25-12)20(22)23/h1-4,8,13H,5-7,9H2
    MOLECULAR FORMULA
    C16H14N4O6
    CROSS REFERENCES
    1062558 logo

    canSAR1062558

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 358.09
    AlogP 1.81
    HBond donors 0
    HBond acceptors 10
    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 canSAR1062558.