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canSAR1268177
FEATURES
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NAMES
    SMILES
    O=C1C=CC(=O)C(CCC(=O)O)=C1
    InChI
    InChI=1S/C9H8O4/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h2-3,5H,1,4H2,(H,12,13)
    MOLECULAR FORMULA
    C9H8O4
    CROSS REFERENCES
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    canSAR1268177

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 180.04
    AlogP 0.49
    HBond donors 1
    HBond acceptors 4
    Atoms 21
    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 canSAR1268177.