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canSAR1618861
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NAMES
    SMILES
    Nc1nnnn1N=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1
    InChI
    InChI=1S/C13H16N8O2/c14-13-16-17-18-20(13)15-9-10-4-5-11(12(8-10)21(22)23)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H2,14,16,18)
    MOLECULAR FORMULA
    C13H16N8O2
    CROSS REFERENCES
    1618861 logo

    canSAR1618861

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 316.14
    AlogP 1.04
    HBond donors 2
    HBond acceptors 10
    Atoms 39
    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 canSAR1618861.