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canSAR1769310
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NAMES
    SMILES
    C#Cc1cccc(-n2nnc(C(C)=O)c2C)c1
    InChI
    InChI=1S/C13H11N3O/c1-4-11-6-5-7-12(8-11)16-9(2)13(10(3)17)14-15-16/h1,5-8H,2-3H3
    MOLECULAR FORMULA
    C13H11N3O
    CROSS REFERENCES
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    canSAR1769310

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 225.09
    AlogP 1.76
    HBond donors 0
    HBond acceptors 4
    Atoms 28
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1769310.