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canSAR1987108
FEATURES
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NAMES
    SMILES
    C[C-](/N=[NH+]/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C(C)C
    InChI
    InChI=1S/C13H17N4O4/c1-8(2)9(3)10(4)14-15-12-6-5-11(16(18)19)7-13(12)17(20)21/h5-9H,1-4H3/q-1/p+1/b15-14+
    MOLECULAR FORMULA
    C13H18N4O4
    CROSS REFERENCES
    1987108 logo

    canSAR1987108

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 294.13
    AlogP 2.51
    HBond donors 1
    HBond acceptors 8
    Atoms 39
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1987108.