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canSAR1024577
FEATURES
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NAMES
    SMILES
    CC/C=C\C[C@H]1C(=O)C(Cl)=C[C@H]1CC(=O)O
    InChI
    InChI=1S/C12H15ClO3/c1-2-3-4-5-9-8(7-11(14)15)6-10(13)12(9)16/h3-4,6,8-9H,2,5,7H2,1H3,(H,14,15)/b4-3-/t8-,9+/m0/s1
    MOLECULAR FORMULA
    C12H15ClO3
    CROSS REFERENCES
    1024577 logo

    canSAR1024577

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 242.07
    AlogP 2.76
    HBond donors 1
    HBond acceptors 3
    Atoms 31
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1024577.