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canSAR1203615
FEATURES
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NAMES
    SMILES
    N#CC(C#N)=Cc1ccc(OCC(=O)O)cc1
    InChI
    InChI=1S/C12H8N2O3/c13-6-10(7-14)5-9-1-3-11(4-2-9)17-8-12(15)16/h1-5H,8H2,(H,15,16)
    MOLECULAR FORMULA
    C12H8N2O3
    CROSS REFERENCES
    1203615 logo

    canSAR1203615

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 228.05
    AlogP 1.58
    HBond donors 1
    HBond acceptors 5
    Atoms 25
    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 canSAR1203615.